TDR Targets

Basic information

Technical information

TDR Targets ID: 33744
Name: 4-[4-(4-bromophenyl)-4-hydroxypiperidin-1-yl] -1-(4-fluorophenyl)butan-1-one
MW: 420.315 | Formula: C21H23BrFNO2
H donors: 1 H acceptors: 2 LogP: 3.88 Rotable bonds: 6
Rule of 5 violations (Lipinski): 1
SMILES: Fc1ccc(cc1)C(=O)CCCN1CCC(CC1)(O)c1ccc(cc1)Br
InChi: 1S/C21H23BrFNO2/c22-18-7-5-17(6-8-18)21(26)11-14-24(15-12-21)13-1-2-20(25)16-3-9-19(23)10-4-16/h3-10,26H,1-2,11-15H2
InChiKey: RKLNONIVDFXQRX-UHFFFAOYSA-N

Network

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Target Layer

Model Organisms

Species	Viewmode
Arabidopsis thaliana
Caenorhabditis elegans
Dictyostelium discoideum
Drosophila melanogaster
Escherichia coli
Homo sapiens
Mus musculus
Oryza sativa
Saccharomyces cerevisiae
Schmidtea mediterranea
Other organisms

TDR Pathogens:

Species	Viewmode
Brugia malayi
Chlamydia trachomatis
Echinococcus granulosus
Entamoeba histolytica
Echinococcus multilocularis
Giardia lamblia
Leishmania major
Loa Loa (eye worm)
Mycobacterium leprae
Mycobacterium tuberculosis
Mycobacterium ulcerans
Onchocerca volvulus
Plasmodium falciparum
Plasmodium vivax
Schistosoma mansoni
Trypanosoma brucei
Trypanosoma cruzi
Toxoplasma gondii
Treponema pallidum
Trichomonas vaginalis
Wolbachia endosymbiont of Brugia malayi

Other Pathogens:

Species	Viewmode
Babesia bovis
Candida albicans
Cryptosporidium hominis
Cryptosporidium parvum
Leishmania braziliensis
Leishmania donovani
Leishmania infantum
Leishmania mexicana
Neospora caninum
Plasmodium berghei
Plasmodium knowlesi
Plasmodium yoelii
Schistosoma japonicum
Trypanosoma brucei gambiense
Trypanosoma congolense
Theileria parva

Compound Layer

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Clustering layers

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Synonyms

4-[4-(4-bromophenyl)-4-hydroxy-1-piperidyl]-1-(4-fluorophenyl)butan-1-one
4-[4-(4-bromophenyl)-4-hydroxy-1-piperidinyl]-1-(4-fluorophenyl)-1-butanone
4-[4-(4-bromophenyl)-4-hydroxy-piperidin-1-yl]-1-(4-fluorophenyl)butan-1-one
4-[4-(4-bromophenyl)-4-hydroxy-piperidino]-1-(4-fluorophenyl)butan-1-one
bromperidol
4-[4-(4-bromophenyl)-4-hydroxy-1-piperidinyl]-1-(4-fluorophenyl)butan-1-one
10457-90-6
PDSP1_001125
Prestwick3_000509
1-Butanone, 4-[4-(4-bromophenyl)-4-hydroxy-1-piperidinyl]-1-(4-fluorophenyl)-
Prestwick_781
Prestwick1_000509
SPBio_002358
Prestwick2_000509
Prestwick0_000509
BPBio1_000481
BSPBio_000437
PDSP2_001109
Bromperidol (JAN/USAN/INN)
D01101
Impromen (TN)
CAS-10457-90-6
NCGC00016692-01
1-Butanone, 4-(4-(4-bromophenyl)-4-hydroxy-1-piperidinyl)-1-(4-fluorophenyl)-
4-(4-(4-Bromophenyl)-4-hydroxy-1-piperidinyl)-1-(4-fluorophenyl)-1-butanone
4-(4-(4-Bromophenyl)-4-hydroxypiperidino)-4'-fluorobutyrophenone
4-(4-(p-Bromophenyl)-4-hydroxypiperidino)-4'-fluorobutyrophenone
4-(4-(p-Bromophenyl)-4-hydroxypiperidinol)-4'-fluorobutyrophenone
5-21-02-00382 (Beilstein Handbook Reference)
BRN 1552256
BUTYROPHENONE, 4-(4-(p-BROMOPHENYL)-4-HYDROXYPIPERIDINO)-4'-FLUORO-
Bromperidol [USAN:BAN:INN:JAN]
Bromperidolum [INN-Latin]
CC 2489
EINECS 233-943-3
Impromen
R 11333

Targets

Known targets for this compound

Species	Target name	Source	Bibliographic reference
Homo sapiens	isocitrate dehydrogenase 1 (NADP+), soluble	Starlite/ChEMBL	No references
Homo sapiens	cytochrome P450, family 1, subfamily A, polypeptide 2	Starlite/ChEMBL	No references
Homo sapiens	cytochrome P450, family 2, subfamily D, polypeptide 6	Starlite/ChEMBL	No references
Homo sapiens	arachidonate 15-lipoxygenase, type B	Starlite/ChEMBL	No references
Homo sapiens	cytochrome P450, family 3, subfamily A, polypeptide 4	Starlite/ChEMBL	No references
Homo sapiens	nuclear factor, erythroid 2-like 2	Starlite/ChEMBL	No references
Escherichia coli	penicillin-binding protein	Starlite/ChEMBL	No references

Predicted pathogen targets for this compound

By orthology

Species	Potential target	Known druggable target/s	Ortholog Group
Loa Loa (eye worm)	isocitrate dehydrogenase	Get druggable targets OG5_127057	All targets in OG5_127057
Neospora caninum	Isocitrate dehydrogenase-like protein, related	Get druggable targets OG5_127057	All targets in OG5_127057
Candida albicans	cytochrome P450 56	Get druggable targets OG5_126554	All targets in OG5_126554
Leishmania braziliensis	isocitrate dehydrogenase [NADP], mitochondrial precursor, putative	Get druggable targets OG5_127057	All targets in OG5_127057
Toxoplasma gondii	isocitrate dehydrogenase	Get druggable targets OG5_127057	All targets in OG5_127057
Candida albicans	N terminus of cytosolic NADP-specific isocitrate dehydrogenase.	Get druggable targets OG5_127057	All targets in OG5_127057
Schistosoma japonicum	ko:K00031 isocitrate dehydrogenase [EC1.1.1.42], putative	Get druggable targets OG5_127057	All targets in OG5_127057
Plasmodium yoelii	isocitrate dehydrogenase, NADP-dependent	Get druggable targets OG5_127057	All targets in OG5_127057
Trypanosoma cruzi	cytochrome P450, putative	Get druggable targets OG5_126554	All targets in OG5_126554
Babesia bovis	isocitrate dehydrogenase, NADP-dependent family protein	Get druggable targets OG5_127057	All targets in OG5_127057
Loa Loa (eye worm)	hypothetical protein	Get druggable targets OG5_126554	All targets in OG5_126554
Schistosoma mansoni	lipoxygenase	Get druggable targets OG5_127482	All targets in OG5_127482
Candida albicans	similar to C.maltosa N-alkane inducible cytochrome P-450, ALK8 CYP52A11	Get druggable targets OG5_126554	All targets in OG5_126554
Candida albicans	closely related to C.maltosa N-alkane-inducible cytochrome P-450, alkane hydroxylating monooxygenase CYP52A3-b aka P450Alk1A (BA	Get druggable targets OG5_126554	All targets in OG5_126554
Schistosoma japonicum	IPR001024,Lipoxygenase, LH2;IPR013819,Lipoxygenase, C-terminal,domain-containing	Get druggable targets OG5_127482	All targets in OG5_127482
Plasmodium vivax	isocitrate dehydrogenase [NADP], mitochondrial, putative	Get druggable targets OG5_127057	All targets in OG5_127057
Echinococcus multilocularis	NADP dependent isocitrate dehydrogenase	Get druggable targets OG5_127057	All targets in OG5_127057
Candida albicans	Mitochondrial NADP-specific isocitrate dehydrogenase	Get druggable targets OG5_127057	All targets in OG5_127057
Brugia malayi	Cytochrome P450 family protein	Get druggable targets OG5_126554	All targets in OG5_126554
Brugia malayi	Cytochrome P450 family protein	Get druggable targets OG5_126554	All targets in OG5_126554
Loa Loa (eye worm)	CYP4Cod1	Get druggable targets OG5_126554	All targets in OG5_126554
Candida albicans	similar to C.maltosa N-alkane inducible cytochrome P-450, ALK8 CYP52A11	Get druggable targets OG5_126554	All targets in OG5_126554
Neospora caninum	hypothetical protein	Get druggable targets OG5_127057	All targets in OG5_127057
Leishmania infantum	isocitrate dehydrogenase [NADP], mitochondrial precursor, putative	Get druggable targets OG5_127057	All targets in OG5_127057
Mycobacterium tuberculosis	Probable isocitrate dehydrogenase [NADP] Icd1 (oxalosuccinate decarboxylase) (IDH) (NADP+-specific ICDH) (IDP)	Get druggable targets OG5_127057	All targets in OG5_127057
Trypanosoma brucei	isocitrate dehydrogenase, putative	Get druggable targets OG5_127057	All targets in OG5_127057
Toxoplasma gondii	isocitrate dehydrogenase	Get druggable targets OG5_127057	All targets in OG5_127057
Schistosoma mansoni	lipoxygenase	Get druggable targets OG5_127482	All targets in OG5_127482
Trypanosoma brucei	cytochrome P450, putative	Get druggable targets OG5_126554	All targets in OG5_126554
Echinococcus multilocularis	NADP dependent isocitrate dehydrogenase	Get druggable targets OG5_127057	All targets in OG5_127057
Echinococcus multilocularis	isocitrate dehydrogenase	Get druggable targets OG5_127057	All targets in OG5_127057
Trypanosoma congolense	isocitrate dehydrogenase, putative	Get druggable targets OG5_127057	All targets in OG5_127057
Plasmodium knowlesi	isocitrate dehydrogenase [NADP], mitochondrial, putative	Get druggable targets OG5_127057	All targets in OG5_127057
Echinococcus multilocularis	arachidonate 5 lipoxygenase	Get druggable targets OG5_127482	All targets in OG5_127482
Candida albicans	cytochrome P450 556	Get druggable targets OG5_126554	All targets in OG5_126554
Leishmania braziliensis	cytochrome p450-like protein	Get druggable targets OG5_126554	All targets in OG5_126554
Trypanosoma cruzi	isocitrate dehydrogenase [NADP], mitochondrial precursor, putative	Get druggable targets OG5_127057	All targets in OG5_127057
Mycobacterium ulcerans	cytochrome P450 185A4 Cyp185A4	Get druggable targets OG5_126554	All targets in OG5_126554
Leishmania donovani	cytochrome p450-like protein	Get druggable targets OG5_126554	All targets in OG5_126554
Trypanosoma cruzi	isocitrate dehydrogenase, putative	Get druggable targets OG5_127057	All targets in OG5_127057
Leishmania donovani	isocitrate dehydrogenase [NADP], mitochondrial precursor, putative	Get druggable targets OG5_127057	All targets in OG5_127057
Loa Loa (eye worm)	cytochrome P450 family protein	Get druggable targets OG5_126554	All targets in OG5_126554
Plasmodium yoelii	isocitrate dehydrogenase, NADP-dependent, putative	Get druggable targets OG5_127057	All targets in OG5_127057
Trypanosoma congolense	cytochrome P450, putative	Get druggable targets OG5_126554	All targets in OG5_126554
Trypanosoma brucei	isocitrate dehydrogenase [NADP], mitochondrial precursor, putative	Get druggable targets OG5_127057	All targets in OG5_127057
Candida albicans	C terminus of cytosolic NADP-specific isocitrate dehydrogenase.	Get druggable targets OG5_127057	All targets in OG5_127057
Echinococcus multilocularis	NADP dependent isocitrate dehydrogenase	Get druggable targets OG5_127057	All targets in OG5_127057
Trypanosoma brucei gambiense	cytochrome P450, putative	Get druggable targets OG5_126554	All targets in OG5_126554
Brugia malayi	isocitrate dehydrogenase	Get druggable targets OG5_127057	All targets in OG5_127057
Leishmania mexicana	isocitrate dehydrogenase [NADP], mitochondrial precursor, putative	Get druggable targets OG5_127057	All targets in OG5_127057
Leishmania major	isocitrate dehydrogenase [NADP], mitochondrial precursor, putative	Get druggable targets OG5_127057	All targets in OG5_127057
Echinococcus granulosus	NADP dependent isocitrate dehydrogenase	Get druggable targets OG5_127057	All targets in OG5_127057
Brugia malayi	Isocitrate dehydrogenase	Get druggable targets OG5_127057	All targets in OG5_127057
Trypanosoma cruzi	cytochrome P450, putative	Get druggable targets OG5_126554	All targets in OG5_126554
Mycobacterium tuberculosis	Possible penicillin-binding protein	Get druggable targets OG5_149948	All targets in OG5_149948
Loa Loa (eye worm)	cytochrome P450 family protein	Get druggable targets OG5_126554	All targets in OG5_126554
Echinococcus multilocularis	isocitrate dehydrogenase 2 (NADP+)	Get druggable targets OG5_127057	All targets in OG5_127057
Trypanosoma brucei gambiense	isocitrate dehydrogenase [NADP], mitochondrial precursor, putative	Get druggable targets OG5_127057	All targets in OG5_127057
Leishmania infantum	cytochrome p450-like protein	Get druggable targets OG5_126554	All targets in OG5_126554
Plasmodium falciparum	isocitrate dehydrogenase [NADP], mitochondrial	Get druggable targets OG5_127057	All targets in OG5_127057
Leishmania major	cytochrome p450-like protein	Get druggable targets OG5_126554	All targets in OG5_126554
Schistosoma japonicum	ko:K00461 arachidonate 5-lipoxygenase [EC1.13.11.34], putative	Get druggable targets OG5_127482	All targets in OG5_127482
Schistosoma mansoni	NADP-specific isocitrate dehydrogenase	Get druggable targets OG5_127057	All targets in OG5_127057
Echinococcus granulosus	arachidonate 5 lipoxygenase	Get druggable targets OG5_127482	All targets in OG5_127482
Candida albicans	Mitochondrial NADP-specific isocitrate dehydrogenase	Get druggable targets OG5_127057	All targets in OG5_127057
Candida albicans	cytosolic NADP-specific isocitrate dehydrogenase.	Get druggable targets OG5_127057	All targets in OG5_127057
Leishmania mexicana	cytochrome p450-like protein	Get druggable targets OG5_126554	All targets in OG5_126554
Plasmodium berghei	isocitrate dehydrogenase [NADP], mitochondrial, putative	Get druggable targets OG5_127057	All targets in OG5_127057
Theileria parva	isocitrate dehydrogenase (NADP+), putative	Get druggable targets OG5_127057	All targets in OG5_127057
Trypanosoma congolense	isocitrate dehydrogenase, putative	Get druggable targets OG5_127057	All targets in OG5_127057
Trypanosoma brucei gambiense	isocitrate dehydrogenase, putative	Get druggable targets OG5_127057	All targets in OG5_127057

By sequence similarity to non orthologous known druggable targets

Species	Potential target	Known druggable target	Length	Alignment span	Identity
Brugia malayi	cytochrome P450	cytochrome P450, family 3, subfamily A, polypeptide 4	502 aa	492 aa	24.2 %
Brugia malayi	Cytochrome P450 family protein	cytochrome P450, family 1, subfamily A, polypeptide 2	516 aa	470 aa	26.2 %
Brugia malayi	cytochrome P450	cytochrome P450, family 2, subfamily D, polypeptide 6	497 aa	425 aa	32.0 %

Ranking Plot

Putative Targets List

Species	Potential target	Raw	Global	Species
Onchocerca volvulus		0.0932	0.1164	0.1047
Schistosoma mansoni	subfamily S1A unassigned peptidase (S01 family)	0.5632	0.9534	0.951
Loa Loa (eye worm)	hypothetical protein	0.0932	0.1164	0.1047
Toxoplasma gondii	1,3(4)-beta-glucanase	0.0932	0.1164	0.1062
Onchocerca volvulus		0.1128	0.1515	0.1421
Loa Loa (eye worm)	PAN domain-containing protein	0.0932	0.1164	0.1047
Brugia malayi	Trypsin-like protease protein 5	0.1128	0.1515	0.1421
Brugia malayi	Calcium binding EGF domain containing protein	0.0556	0.0495	0.0331
Plasmodium vivax	cysteine repeat modular protein 1, putative	0.4095	0.6796	0.5
Brugia malayi	Trypsin family protein	0.5632	0.9534	1
Loa Loa (eye worm)	hypothetical protein	0.1128	0.1515	0.1421
Onchocerca volvulus		0.1128	0.1515	0.1421
Loa Loa (eye worm)	hypothetical protein	0.1128	0.1515	0.1421
Plasmodium falciparum	cysteine repeat modular protein 1	0.4095	0.6796	0.5
Onchocerca volvulus		0.1128	0.1515	0.1421
Loa Loa (eye worm)	trypsin family protein	0.1128	0.1515	0.1421
Mycobacterium tuberculosis	Possible penicillin-binding protein	0.0278	0	0.5
Schistosoma mansoni	cercarial elastase (S01 family)	0.1128	0.1515	0.1073
Schistosoma mansoni	subfamily S1A unassigned peptidase (S01 family)	0.1128	0.1515	0.1073
Schistosoma mansoni	cercarial elastase (S01 family)	0.1128	0.1515	0.1073
Loa Loa (eye worm)	PAN domain-containing protein	0.0932	0.1164	0.1047
Loa Loa (eye worm)	hypothetical protein	0.071	0.077	0.0625
Brugia malayi	PAN domain containing protein	0.0932	0.1164	0.1047
Toxoplasma gondii	microneme protein MIC17B	0.0932	0.1164	0.1062
Brugia malayi	PAN domain containing protein	0.0932	0.1164	0.1047
Schistosoma mansoni	cercarial elastase (S01 family)	0.1128	0.1515	0.1073
Echinococcus granulosus	Mastin	0.125	0.1731	0.1962
Onchocerca volvulus		0.0932	0.1164	0.1047
Onchocerca volvulus		0.0932	0.1164	0.1047
Loa Loa (eye worm)	DOMON domain-containing protein	0.071	0.077	0.0625
Loa Loa (eye worm)	hypothetical protein	0.1128	0.1515	0.1421
Onchocerca volvulus		0.071	0.077	0.0625
Echinococcus multilocularis	enteropeptidase	0.125	0.1731	0.1962
Loa Loa (eye worm)	hypothetical protein	0.0932	0.1164	0.1047
Loa Loa (eye worm)	hypothetical protein	0.5632	0.9534	1
Loa Loa (eye worm)	hypothetical protein	0.0932	0.1164	0.1047
Toxoplasma gondii	PAN/Apple domain-containing protein	0.0932	0.1164	0.1062
Onchocerca volvulus		0.096	0.1215	0.1101
Schistosoma mansoni	cercarial elastase (S01 family)	0.1128	0.1515	0.1073
Loa Loa (eye worm)	hypothetical protein	0.0932	0.1164	0.1047
Brugia malayi	PAN domain containing protein	0.0932	0.1164	0.1047
Brugia malayi	Trypsin family protein	0.1128	0.1515	0.1421
Brugia malayi	PAN domain containing protein	0.0932	0.1164	0.1047
Onchocerca volvulus		0.071	0.077	0.0625
Echinococcus granulosus	tissue type plasminogen activator	0.4095	0.6796	1
Schistosoma mansoni	hypothetical protein	0.1128	0.1515	0.1073
Brugia malayi	Trypsin family protein	0.1128	0.1515	0.1421
Onchocerca volvulus		0.0932	0.1164	0.1047
Trypanosoma cruzi	hypothetical protein, conserved	0.4095	0.6796	0.5
Loa Loa (eye worm)	PAN domain-containing protein	0.0932	0.1164	0.1047
Echinococcus multilocularis	subfamily S1A unassigned peptidase (S01 family)	0.1128	0.1515	0.1618
Toxoplasma gondii	PAN domain-containing protein	0.0932	0.1164	0.1062
Onchocerca volvulus		0.0932	0.1164	0.1047
Brugia malayi	PAN domain containing protein	0.0932	0.1164	0.1047
Echinococcus granulosus	subfamily S1A unassigned peptidase S01 family	0.1128	0.1515	0.1618
Brugia malayi	PAN domain containing protein	0.0932	0.1164	0.1047
Toxoplasma gondii	kringle domain-containing protein	0.4095	0.6796	1
Loa Loa (eye worm)	hypothetical protein	0.1128	0.1515	0.1421
Toxoplasma gondii	microneme protein MIC17C	0.0932	0.1164	0.1062
Schistosoma mansoni	hypothetical protein	0.4095	0.6796	0.6629
Brugia malayi	Low-density lipoprotein receptor repeat class B containing protein	0.0685	0.0725	0.0577
Brugia malayi	Chymotrypsin-like protease CTRL-1 precursor	0.1128	0.1515	0.1421
Echinococcus granulosus	Peptidase S1 S6 chymotrypsin Hap	0.1128	0.1515	0.1618
Loa Loa (eye worm)	hypothetical protein	0.0932	0.1164	0.1047
Onchocerca volvulus		0.4095	0.6796	0.7071
Toxoplasma gondii	PAN domain-containing protein	0.0932	0.1164	0.1062
Toxoplasma gondii	microneme protein, putative	0.0932	0.1164	0.1062
Loa Loa (eye worm)	hypothetical protein	0.0932	0.1164	0.1047
Schistosoma mansoni	hypothetical protein	0.1128	0.1515	0.1073
Brugia malayi	PAN domain containing protein	0.0932	0.1164	0.1047
Toxoplasma gondii	hypothetical protein	0.0932	0.1164	0.1062
Onchocerca volvulus		0.071	0.077	0.0625
Loa Loa (eye worm)	hypothetical protein	0.0688	0.0731	0.0583
Loa Loa (eye worm)	hypothetical protein	0.0817	0.0961	0.0829
Onchocerca volvulus		0.0932	0.1164	0.1047
Brugia malayi	Protein kinase domain containing protein	0.4095	0.6796	0.7071
Brugia malayi	PAN domain containing protein	0.0932	0.1164	0.1047
Schistosoma mansoni	cercarial elastase (S01 family)	0.1128	0.1515	0.1073
Onchocerca volvulus		0.0932	0.1164	0.1047
Loa Loa (eye worm)	multiple epidermal growth factor-like domains 6	0.0556	0.0495	0.0331
Schistosoma mansoni	cercarial elastase (S01 family)	0.1128	0.1515	0.1073
Toxoplasma gondii	PAN domain-containing protein	0.1813	0.2734	0.3553
Loa Loa (eye worm)	hypothetical protein	0.096	0.1215	0.1101
Brugia malayi	Fibulin-1 precursor	0.0556	0.0495	0.0331
Onchocerca volvulus		0.1128	0.1515	0.1421
Echinococcus multilocularis	glycoprotein Antigen 5	0.125	0.1731	0.1962
Schistosoma mansoni	cercarial elastase (S01 family)	0.1128	0.1515	0.1073
Echinococcus granulosus	glycoprotein Antigen 5	0.125	0.1731	0.1962
Brugia malayi	Muscle positioning protein 4	0.096	0.1215	0.1101
Loa Loa (eye worm)	PAN domain-containing protein	0.0932	0.1164	0.1047
Brugia malayi	PAN domain containing protein	0.0932	0.1164	0.1047
Mycobacterium ulcerans	hypothetical protein	0.1128	0.1515	0.5
Schistosoma mansoni	aminopeptidase PILS (M01 family)	0.1128	0.1515	0.1073
Loa Loa (eye worm)	hypothetical protein	0.0556	0.0495	0.0331
Loa Loa (eye worm)	hypothetical protein	0.1128	0.1515	0.1421
Onchocerca volvulus		0.0932	0.1164	0.1047
Onchocerca volvulus		0.0932	0.1164	0.1047
Echinococcus granulosus	transmembrane protease serine 3	0.1128	0.1515	0.1618
Brugia malayi	Kringle domain containing protein	0.4095	0.6796	0.7071
Leishmania major	hypothetical protein, conserved	0.4095	0.6796	0.5
Schistosoma mansoni	cercarial elastase (S01 family)	0.1128	0.1515	0.1073
Loa Loa (eye worm)	PAN domain-containing protein	0.0932	0.1164	0.1047
Toxoplasma gondii	PAN domain-containing protein	0.1813	0.2734	0.3553
Onchocerca volvulus		0.0932	0.1164	0.1047
Loa Loa (eye worm)	hypothetical protein	0.0685	0.0725	0.0577
Schistosoma mansoni	hypothetical protein	0.071	0.077	0.0289
Schistosoma mansoni	cercarial elastase (S01 family)	0.1128	0.1515	0.1073
Schistosoma mansoni	cercarial elastase (S01 family)	0.1128	0.1515	0.1073
Echinococcus multilocularis	transmembrane protease serine 3	0.1128	0.1515	0.1618
Onchocerca volvulus		0.4504	0.7525	0.7851
Loa Loa (eye worm)	hypothetical protein	0.5632	0.9534	1
Echinococcus multilocularis	Peptidase S1 S6, chymotrypsin Hap	0.1128	0.1515	0.1618
Onchocerca volvulus		0.5632	0.9534	1
Brugia malayi	SEA domain containing protein	0.071	0.077	0.0625
Brugia malayi	PAN domain containing protein	0.0932	0.1164	0.1047
Loa Loa (eye worm)	bone morphogenetic protein 1b	0.0688	0.0731	0.0583
Echinococcus granulosus	Tolloid protein 1	0.0688	0.0731	0.0374
Loa Loa (eye worm)	TK/ROR protein kinase	0.4095	0.6796	0.7071
Onchocerca volvulus		0.071	0.077	0.0625
Brugia malayi	hypothetical protein	0.1128	0.1515	0.1421
Loa Loa (eye worm)	low-density lipoprotein receptor repeat class B containing protein	0.0685	0.0725	0.0577
Toxoplasma gondii	microneme protein MIC17A	0.0932	0.1164	0.1062
Schistosoma mansoni	cercarial elastase (S01 family)	0.1128	0.1515	0.1073
Loa Loa (eye worm)	hypothetical protein	0.0932	0.1164	0.1047
Toxoplasma gondii	PAN domain-containing protein	0.0932	0.1164	0.1062
Schistosoma mansoni	subfamily M12A unassigned peptidase (M12 family)	0.0688	0.0731	0.0248
Echinococcus multilocularis	Mastin	0.125	0.1731	0.1962
Schistosoma mansoni	subfamily S1A unassigned peptidase (S01 family)	0.1128	0.1515	0.1073
Toxoplasma gondii	subtilisin SUB12	0.0932	0.1164	0.1062
Schistosoma mansoni	subfamily S1A unassigned peptidase (S01 family)	0.1261	0.175	0.1321
Toxoplasma gondii	PAN domain-containing protein	0.0932	0.1164	0.1062
Echinococcus granulosus	enteropeptidase	0.125	0.1731	0.1962
Toxoplasma gondii	hypothetical protein	0.0932	0.1164	0.1062
Loa Loa (eye worm)	hypothetical protein	0.0556	0.0495	0.0331
Echinococcus multilocularis	Tolloid protein 1	0.0688	0.0731	0.0374
Brugia malayi	Trypsin family protein	0.1128	0.1515	0.1421
Loa Loa (eye worm)	hypothetical protein	0.4095	0.6796	0.7071
Toxoplasma gondii	microneme protein MIC4	0.0932	0.1164	0.1062
Schistosoma mansoni	subfamily S1A unassigned peptidase (S01 family)	0.1128	0.1515	0.1073
Schistosoma mansoni	subfamily S1A unassigned peptidase (S01 family)	0.125	0.1731	0.1301
Onchocerca volvulus	Arrow homolog	0.0685	0.0725	0.0577
Echinococcus multilocularis	tissue type plasminogen activator	0.4095	0.6796	1
Onchocerca volvulus		0.1128	0.1515	0.1421
Onchocerca volvulus		0.0932	0.1164	0.1047

Activities

Activity type	Activity value	Assay description	Source	Reference
AC50 (functional)		PUBCHEM_BIOASSAY: Cytochrome panel assay with activity outcomes. (Class of assay: other) Panel member name: p450-cyp2c9 Compounds with AC50 equal or less than 10 uM are considered active	ChEMBL.	No reference
AC50 (functional)		PUBCHEM_BIOASSAY: Cytochrome panel assay with activity outcomes. (Class of assay: other) Panel member name: p450-cyp3a4 Compounds with AC50 equal or less than 10 uM are considered active	ChEMBL.	No reference
AC50 (functional)		PUBCHEM_BIOASSAY: Cytochrome panel assay with activity outcomes. (Class of assay: other) Panel member name: p450-cyp2c19 Compounds with AC50 equal or less than 10 uM are considered active	ChEMBL.	No reference
AC50 (functional)	= 3.981071706 uM	PUBCHEM_BIOASSAY: Cytochrome panel assay with activity outcomes. (Class of assay: other) Panel member name: p450-cyp2d6 Compounds with AC50 equal or less than 10 uM are considered active	ChEMBL.	No reference
AC50 (functional)	= 5.011872336 uM	PUBCHEM_BIOASSAY: Cytochrome panel assay with activity outcomes. (Class of assay: other) Panel member name: p450-cyp1a2 Compounds with AC50 equal or less than 10 uM are considered active	ChEMBL.	No reference
Activity (binding)	= 90.9 %	Inhibition of ASM in rat PC12 cells assessed as residual activity at 10 uM	ChEMBL.	18027916
Distribution (ADMET)	= 0.02 %	Distribution of the compound in blood of rat, 8 hr after intravenous administration, injected dose/gm	ChEMBL.	4032434
Distribution (ADMET)	= 0.03 %	Distribution of the compound in blood of rat, 6 hr after intravenous administration, injected dose/gm	ChEMBL.	4032434
Distribution (ADMET)	= 0.05 %	Distribution of the compound in blood of rat, 2 hr after intravenous administration, injected dose/gm	ChEMBL.	4032434
Distribution (ADMET)	= 0.05 %	Distribution of the compound in rat fat 5 min after intravenous administration, injected dose/gm	ChEMBL.	4032434
Distribution (ADMET)	= 0.06 %	Distribution of the compound in blood of rat, 1 hr after intravenous administration, injected dose/gm	ChEMBL.	4032434
Distribution (ADMET)	= 0.06 %	Distribution of the compound in blood of rat, 4 hr after intravenous administration, injected dose/gm	ChEMBL.	4032434
Distribution (ADMET)	= 0.08 %	Distribution of the compound in blood of rat, 30 min after intravenous administration, injected dose/gm	ChEMBL.	4032434
Distribution (ADMET)	= 0.1 %	Distribution of the compound in rat muscle 8 hr after intravenous administration, injected dose/gm	ChEMBL.	4032434
Distribution (ADMET)	= 0.11 %	Distribution of the compound in blood of rat, 15 min after intravenous administration, injected dose/gm	ChEMBL.	4032434
Distribution (ADMET)	= 0.12 %	Distribution of the compound in blood of rat 5 min after intravenous administration, injected dose/gm	ChEMBL.	4032434
Distribution (ADMET)	= 0.12 %	Distribution of the compound in rat muscle 4 hr after intravenous administration, injected dose/gm	ChEMBL.	4032434
Distribution (ADMET)	= 0.13 %	Distribution of the compound in rat muscle 6 hr after intravenous administration, injected dose/gm	ChEMBL.	4032434
Distribution (ADMET)	= 0.14 %	Distribution of the compound in rat skin 4 hr after intravenous administration, injected dose/gm	ChEMBL.	4032434
Distribution (ADMET)	= 0.14 %	Distribution of the compound in rat skin 6 hr after intravenous administration, injected dose/gm	ChEMBL.	4032434
Distribution (ADMET)	= 0.14 %	Distribution of the compound in rat skin 8 hr after intravenous administration, injected dose/gm	ChEMBL.	4032434
Distribution (ADMET)	= 0.15 %	Distribution of the compound in rat fat 4 hr after intravenous administration, injected dose/gm	ChEMBL.	4032434
Distribution (ADMET)	= 0.15 %	Distribution of the compound in rat muscle 2 hr after intravenous administration, injected dose/gm	ChEMBL.	4032434
Distribution (ADMET)	= 0.15 %	Distribution of the compound in rat skin 5 min after intravenous administration, injected dose/gm	ChEMBL.	4032434
Distribution (ADMET)	= 0.16 %	Distribution of the compound in rat fat 15 min after intravenous administration, injected dose/gm	ChEMBL.	4032434
Distribution (ADMET)	= 0.17 %	Distribution of the compound in rat skin 2 hr after intravenous administration, injected dose/gm	ChEMBL.	4032434
Distribution (ADMET)	= 0.18 %	Distribution of the compound in rat fat 2 hr after intravenous administration, injected dose/gm	ChEMBL.	4032434
Distribution (ADMET)	= 0.18 %	Distribution of the compound in rat fat 8 hr after intravenous administration, injected dose/gm	ChEMBL.	4032434
Distribution (ADMET)	= 0.18 %	Distribution of the compound in rat muscle 1 hr after intravenous administration, injected dose/gm	ChEMBL.	4032434
Distribution (ADMET)	= 0.19 %	Distribution of the compound in rat fat 6 hr after intravenous administration, injected dose/gm	ChEMBL.	4032434
Distribution (ADMET)	= 0.19 %	Distribution of the compound in rat skin 15 min after intravenous administration, injected dose/gm	ChEMBL.	4032434
Distribution (ADMET)	= 0.2 %	Distribution of the compound in rat fat 30 min after intravenous administration, injected dose/gm	ChEMBL.	4032434
Distribution (ADMET)	= 0.2 %	Distribution of the compound in rat skin 30 min after intravenous administration, injected dose/gm	ChEMBL.	4032434
Distribution (ADMET)	= 0.2 %	Distribution of the compound in rat skin 1 hr after intravenous administration, injected dose/gm	ChEMBL.	4032434
Distribution (ADMET)	= 0.22 %	Distribution of the compound in rat fat 1 hr after intravenous administration, injected dose/gm	ChEMBL.	4032434
Distribution (ADMET)	= 0.23 %	Distribution of the compound in rat muscle 30 min after intravenous administration, injected dose/gm	ChEMBL.	4032434
Distribution (ADMET)	= 0.3 %	Distribution of the compound in rat heart 8 hr after intravenous administration, injected dose/gm	ChEMBL.	4032434
Distribution (ADMET)	= 0.32 %	Distribution of the compound in rat muscle 5 min after intravenous administration, injected dose/gm	ChEMBL.	4032434
Distribution (ADMET)	= 0.32 %	Distribution of the compound in rat muscle 15 min after intravenous administration, injected dose/gm	ChEMBL.	4032434
Distribution (ADMET)	= 0.36 %	Distribution of the compound in rat heart 4 hr after intravenous administration, injected dose/gm	ChEMBL.	4032434
Distribution (ADMET)	= 0.39 %	Distribution of the compound in rat heart 6 hr after intravenous administration, injected dose/gm	ChEMBL.	4032434
Distribution (ADMET)	= 0.39 %	Distribution of the compound in rat intestine 5 min after intravenous administration, injected dose/gm	ChEMBL.	4032434
Distribution (ADMET)	= 0.46 %	Distribution of the compound in rat heart 2 hr after intravenous administration, injected dose/gm	ChEMBL.	4032434
Distribution (ADMET)	= 0.55 %	Distribution of the compound in rat heart 1 hr after intravenous administration, injected dose/gm	ChEMBL.	4032434
Distribution (ADMET)	= 0.76 %	Distribution of the compound in rat intestine 4 hr after intravenous administration, injected dose/gm	ChEMBL.	4032434
Distribution (ADMET)	= 0.82 %	Distribution of the compound in rat intestine 2 hr after intravenous administration, injected dose/gm	ChEMBL.	4032434
Distribution (ADMET)	= 0.83 %	Distribution of the compound in rat intestine 30 min after intravenous administration, injected dose/gm	ChEMBL.	4032434
Distribution (ADMET)	= 0.85 %	Distribution of the compound in rat intestine 8 hr after intravenous administration, injected dose/gm	ChEMBL.	4032434
Distribution (ADMET)	= 0.89 %	Distribution of the compound in rat intestine 1 hr after intravenous administration, injected dose/gm	ChEMBL.	4032434
Distribution (ADMET)	= 0.91 %	Distribution of the compound in rat intestine 15 min after intravenous administration, injected dose/gm	ChEMBL.	4032434
Distribution (ADMET)	= 0.98 %	Distribution of the compound in rat intestine 6 hr after intravenous administration, injected dose/gm	ChEMBL.	4032434
Distribution (ADMET)	= 1.03 %	Distribution of the compound in rat liver 5 min after intravenous administration, injected dose/gm	ChEMBL.	4032434
Distribution (ADMET)	= 1.07 %	Distribution of the compound in rat heart 30 min after intravenous administration, injected dose/gm	ChEMBL.	4032434
Distribution (ADMET)	= 1.07 %	Distribution of the compound in rat uterus 2 hr after intravenous administration, injected dose/gm	ChEMBL.	4032434
Distribution (ADMET)	= 1.07 %	Distribution of the compound in rat uterus 4 hr after intravenous administration, injected dose/gm	ChEMBL.	4032434
Distribution (ADMET)	= 1.14 %	Distribution of the compound in rat lungs 8 hr after intravenous administration, injected dose/gm	ChEMBL.	4032434
Distribution (ADMET)	= 1.15 %	Distribution of the compound in rat uterus 8 hr after intravenous administration, injected dose/gm	ChEMBL.	4032434
Distribution (ADMET)	= 1.2 %	Distribution of the compound in rat uterus 6 hr after intravenous administration, injected dose/gm	ChEMBL.	4032434
Distribution (ADMET)	= 1.21 %	Distribution of the compound in rat uterus 1 hr after intravenous administration, injected dose/gm	ChEMBL.	4032434
Distribution (ADMET)	= 1.24 %	Distribution of the compound in rat lungs 6 hr after intravenous administration, injected dose/gm	ChEMBL.	4032434
Distribution (ADMET)	= 1.29 %	Distribution of the compound in brain of rat, 8 hr after intravenous administered, injected dose/gm	ChEMBL.	4032434
Distribution (ADMET)	= 1.37 %	Distribution of the compound in rat heart 15 min after intravenous administration, injected dose/gm	ChEMBL.	4032434
Distribution (ADMET)	= 1.58 %	Distribution of the compound in brain of rat, 6 hr after intravenous administered, injected dose/gm	ChEMBL.	4032434
Distribution (ADMET)	= 1.59 %	Distribution of the compound in rat lungs 4 hr after intravenous administration, injected dose/gm	ChEMBL.	4032434
Distribution (ADMET)	= 1.61 %	Distribution of the compound in brain of rat, 4 hr after intravenous administered, injected dose/gm	ChEMBL.	4032434
Distribution (ADMET)	= 1.76 %	Distribution of the compound in rat spleen 6 hr after intravenous administration, injected dose/gm	ChEMBL.	4032434
Distribution (ADMET)	= 1.77 %	Distribution of the compound in rat kidney, 8 hr after intravenous administration, injected dose/gm	ChEMBL.	4032434
Distribution (ADMET)	= 1.85 %	Distribution of the compound in brain of rat, 2 hr after intravenous administered, injected dose/gm	ChEMBL.	4032434
Distribution (ADMET)	= 1.86 %	Distribution of the compound in rat spleen 8 hr after intravenous administration, injected dose/gm	ChEMBL.	4032434
Distribution (ADMET)	= 1.91 %	Distribution of the compound in rat uterus 5 min after intravenous administration, injected dose/gm	ChEMBL.	4032434
Distribution (ADMET)	= 1.92 %	Distribution of the compound in rat spleen 4 hr after intravenous administration, injected dose/gm	ChEMBL.	4032434
Distribution (ADMET)	= 1.93 %	Distribution of the compound in rat kidney, 6 hr after intravenous administration, injected dose/gm	ChEMBL.	4032434
Distribution (ADMET)	= 1.95 %	Distribution of the compound in rat kidney, 4 hr after intravenous administration, injected dose/gm	ChEMBL.	4032434
Distribution (ADMET)	= 2.05 %	Distribution of the compound in rat pancreas 8 hr after intravenous administration, injected dose/gm	ChEMBL.	4032434
Distribution (ADMET)	= 2.1 %	Distribution of the compound in rat lungs 2 hr after intravenous administration, injected dose/gm	ChEMBL.	4032434
Distribution (ADMET)	= 2.19 %	Distribution of the compound in rat liver 15 min after intravenous administration, injected dose/gm	ChEMBL.	4032434
Distribution (ADMET)	= 2.24 %	Distribution of the compound in rat uterus 15 min after intravenous administration, injected dose/gm	ChEMBL.	4032434
Distribution (ADMET)	= 2.26 %	Distribution of the compound in brain of rat, 5 min after intravenous administered, injected dose/gm	ChEMBL.	4032434
Distribution (ADMET)	= 2.29 %	Distribution of the compound in rat heart 5 min after intravenous administration, injected dose/gm	ChEMBL.	4032434
Distribution (ADMET)	= 2.48 %	Distribution of the compound in brain of rat, 1 hr after intravenous administered, injected dose/gm	ChEMBL.	4032434
Distribution (ADMET)	= 2.5 %	Distribution of the compound in rat liver 30 min after intravenous administration, injected dose/gm	ChEMBL.	4032434
Distribution (ADMET)	= 2.6 %	Distribution of the compound in rat spleen 1 hr after intravenous administration, injected dose/gm	ChEMBL.	4032434
Distribution (ADMET)	= 2.69 %	Distribution of the compound in rat spleen 2 hr after intravenous administration, injected dose/gm	ChEMBL.	4032434
Distribution (ADMET)	= 2.82 %	Distribution of the compound in brain of rat, 30 min after intravenous administered, injected dose/gm	ChEMBL.	4032434
Distribution (ADMET)	= 2.83 %	Distribution of the compound in rat pancreas 6 hr after intravenous administration, injected dose/gm	ChEMBL.	4032434
Distribution (ADMET)	= 2.93 %	Distribution of the compound in rat kidney, 2 hr after intravenous administration, injected dose/gm	ChEMBL.	4032434
Distribution (ADMET)	= 2.99 %	Distribution of the compound in rat liver 1 hr after intravenous administration, injected dose/gm	ChEMBL.	4032434
Distribution (ADMET)	= 3 %	Distribution of the compound in rat uterus 30 min after intravenous administration, injected dose/gm	ChEMBL.	4032434
Distribution (ADMET)	= 3.02 %	Distribution of the compound in rat spleen 5 min after intravenous administration, injected dose/gm	ChEMBL.	4032434
Distribution (ADMET)	= 3.04 %	Distribution of the compound in brain of rat, 15 min after intravenous administered, injected dose/gm	ChEMBL.	4032434
Distribution (ADMET)	= 3.16 %	Distribution of the compound in rat liver 2 hr after intravenous administration, injected dose/gm	ChEMBL.	4032434
Distribution (ADMET)	= 3.16 %	Distribution of the compound in rat pancreas 5 min after intravenous administration, injected dose/gm	ChEMBL.	4032434
Distribution (ADMET)	= 3.29 %	Distribution of the compound in rat spleen 15 min after intravenous administration, injected dose/gm	ChEMBL.	4032434
Distribution (ADMET)	= 3.51 %	Distribution of the compound in rat pancreas 4 hr after intravenous administration, injected dose/gm	ChEMBL.	4032434
Distribution (ADMET)	= 3.76 %	Distribution of the compound in rat pancreas 2 hr after intravenous administration, injected dose/gm	ChEMBL.	4032434
Distribution (ADMET)	= 4.08 %	Distribution of the compound in rat liver 4 hr after intravenous administration, injected dose/gm	ChEMBL.	4032434
Distribution (ADMET)	= 4.11 %	Distribution of the compound in rat kidney, 1 hr after intravenous administration, injected dose/gm	ChEMBL.	4032434
Distribution (ADMET)	= 4.16 %	Distribution of the compound in rat liver 6 hr after intravenous administration, injected dose/gm	ChEMBL.	4032434
Distribution (ADMET)	= 4.19 %	Distribution of the compound in rat lungs 1 hr after intravenous administration, injected dose/gm	ChEMBL.	4032434
Distribution (ADMET)	= 4.23 %	Distribution of the compound in rat pancreas 1 hr after intravenous administration, injected dose/gm	ChEMBL.	4032434
Distribution (ADMET)	= 4.33 %	Distribution of the compound in rat liver 8 hr after intravenous administration, injected dose/gm	ChEMBL.	4032434
Distribution (ADMET)	= 4.43 %	Distribution of the compound in rat spleen 30 min after intravenous administration, injected dose/gm	ChEMBL.	4032434
Distribution (ADMET)	= 4.69 %	Distribution of the compound in rat kidney, 15 min after intravenous administration, injected dose/gm	ChEMBL.	4032434
Distribution (ADMET)	= 4.72 %	Distribution of the compound in rat pancreas 15 min after intravenous administration, injected dose/gm	ChEMBL.	4032434
Distribution (ADMET)	= 4.96 %	Distribution of the compound in rat kidney, 5 min after intravenous administration, injected dose/gm	ChEMBL.	4032434
Distribution (ADMET)	= 5.01 %	Distribution of the compound in rat kidney, 30 min after intravenous administration, injected dose/gm	ChEMBL.	4032434
Distribution (ADMET)	= 5.2 %	Distribution of the compound in rat pancreas 30 min after intravenous administration, injected dose/gm	ChEMBL.	4032434
Distribution (ADMET)	= 5.8 %	Distribution of the compound in rat lungs 30 min after intravenous administration, injected dose/gm	ChEMBL.	4032434
Distribution (ADMET)	= 6.29 %	Distribution of the compound in rat lungs 15 min after intravenous administration, injected dose/gm	ChEMBL.	4032434
Distribution (ADMET)	= 13.6 %	Distribution of the compound in rat lungs 5 min after intravenous administration, injected dose/gm	ChEMBL.	4032434
Dose/g (ADMET)	= 0.12 %	Tested for the tissue distribution of Br activity at 120 min in blood following intravenous injection in rat at the dose of 0.2 mg/kg	ChEMBL.	7359515
Dose/g (ADMET)	= 0.14 %	Tested for the tissue distribution of Br activity at 30 min in blood following intravenous injection in rat at the dose of 0.2 mg/kg	ChEMBL.	7359515
Dose/g (ADMET)	= 0.14 %	Tested for the tissue distribution of Br activity at 45 min in blood following intravenous injection in rat at the dose of 0.2 mg/kg	ChEMBL.	7359515
Dose/g (ADMET)	= 0.14 %	Tested for the tissue distribution of Br activity at 60 min in blood following intravenous injection in rat at the dose of 0.2 mg/kg	ChEMBL.	7359515
Dose/g (ADMET)	= 0.15 %	Tested for the tissue distribution of Br activity at 15 min in blood following intravenous injection in rat at the dose of 0.2 mg/kg	ChEMBL.	7359515
Dose/g (ADMET)	= 0.2 %	Tested for the tissue distribution of Br activity at 120 min in brain following intravenous injection in rat at the dose of 0.2 mg/kg	ChEMBL.	7359515
Dose/g (ADMET)	= 0.32 %	Tested for the tissue distribution of Br activity at 60 min in brain following intravenous injection in rat at the dose of 0.2 mg/kg	ChEMBL.	7359515
Dose/g (ADMET)	= 0.41 %	Tested for the tissue distribution of Br activity at 30 min in brain following intravenous injection in rat at the dose of 0.2 mg/kg	ChEMBL.	7359515
Dose/g (ADMET)	= 0.41 %	Tested for the tissue distribution of Br activity at 45 min in brain following intravenous injection in rat at the dose of 0.2 mg/kg	ChEMBL.	7359515
Dose/g (ADMET)	= 0.58 %	Tested for the tissue distribution of Br activity at 15 min in brain following intravenous injection in rat at the dose of 0.2 mg/kg	ChEMBL.	7359515
Dose/g (ADMET)	= 0.61 %	Tested for the tissue distribution of Br activity at 120 min in kidney following intravenous injection in rat at the dose of 0.2 mg/kg	ChEMBL.	7359515
Dose/g (ADMET)	= 0.93 %	Tested for the tissue distribution of Br activity at 60 min in kidney following intravenous injection in rat at the dose of 0.2 mg/kg	ChEMBL.	7359515
Dose/g (ADMET)	= 1.03 %	Tested for the tissue distribution of Br activity at 45 min in kidney following intravenous injection in rat at the dose of 0.2 mg/kg	ChEMBL.	7359515
Dose/g (ADMET)	= 1.07 %	Tested for the tissue distribution of Br activity at 45 min in liver following intravenous injection in rat at the dose of 0.2 mg/kg	ChEMBL.	7359515
Dose/g (ADMET)	= 1.2 %	Tested for the tissue distribution of Br activity at 30 min in kidney following intravenous injection in rat at the dose of 0.2 mg/kg	ChEMBL.	7359515
Dose/g (ADMET)	= 1.23 %	Tested for the tissue distribution of Br activity at 120 min in lung following intravenous injection in rat at the dose of 0.2 mg/kg	ChEMBL.	7359515
Dose/g (ADMET)	= 1.44 %	Tested for the tissue distribution of Br activity at 120 min in liver following intravenous injection in rat at the dose of 0.2 mg/kg	ChEMBL.	7359515
Dose/g (ADMET)	= 1.53 %	Tested for the tissue distribution of Br activity at 15 min in liver following intravenous injection in rat at the dose of 0.2 mg/kg	ChEMBL.	7359515
Dose/g (ADMET)	= 1.58 %	Tested for the tissue distribution of Br activity at 60 min in liver following intravenous injection in rat at the dose of 0.2 mg/kg	ChEMBL.	7359515
Dose/g (ADMET)	= 1.63 %	Tested for the tissue distribution of Br activity at 15 min in kidney following intravenous injection in rat at the dose of 0.2 mg/kg	ChEMBL.	7359515
Dose/g (ADMET)	= 1.66 %	Tested for the tissue distribution of Br activity at 30 min in liver following intravenous injection in rat at the dose of 0.2 mg/kg	ChEMBL.	7359515
Dose/g (ADMET)	= 2.25 %	Tested for the tissue distribution of Br activity at 60 min in lung following intravenous injection in rat at the dose of 0.2 mg/kg	ChEMBL.	7359515
Dose/g (ADMET)	= 2.75 %	Tested for the tissue distribution of Br activity at 45 min in lung following intravenous injection in rat at the dose of 0.2 mg/kg	ChEMBL.	7359515
Dose/g (ADMET)	= 3.17 %	Tested for the tissue distribution of Br activity at 30 min in lung following intravenous injection in rat at the dose of 0.2 mg/kg	ChEMBL.	7359515
Dose/g (ADMET)	= 5.07 %	Tested for the tissue distribution of Br activity at 15 min in lungs following intravenous injection in rat at the dose of 0.2 mg/kg	ChEMBL.	7359515
Potency (functional)	2.5929 uM	PubChem BioAssay. qHTS for induction of synthetic lethality in tumor cells producing 2HG: qHTS for the HT-1080-NT fibrosarcoma cell line. (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (functional)	2.9362 uM	PUBCHEM_BIOASSAY: Primary qHTS for delayed death inhibitors of the malarial parasite plastid, 96 hour incubation. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488745, AID488752, AID488774, AID504848, AID504850]	ChEMBL.	No reference
Potency (ADMET)	= 3.9811 um	PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors and Substrates of Cytochrome P450 2D6. (Class of assay: confirmatory) [Related pubchem assays: 410 ]	ChEMBL.	No reference
Potency (functional)	4.0533 uM	PUBCHEM_BIOASSAY: Primary qHTS for delayed death inhibitors of the malarial parasite plastid, 96 hour incubation. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488745, AID488752, AID488774, AID504848, AID504850]	ChEMBL.	No reference
Potency (functional)	6.4241 uM	PUBCHEM_BIOASSAY: Primary qHTS for delayed death inhibitors of the malarial parasite plastid, 48 hour incubation. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488752, AID488774, AID504848, AID504850]	ChEMBL.	No reference
Potency (functional)	= 7.9433 um	PUBCHEM_BIOASSAY: qHTS Inhibitors of AmpC Beta-Lactamase (assay with detergent). (Class of assay: confirmatory) [Related pubchem assays: 1002 (Confirmation Concentration-Response Assay for Inhibitors of AmpC Beta-Lactamase (assay with detergent)), 585 (Promiscuous and Specific Inhibitors of AmpC Beta-Lactamase (assay without detergent) - a screen old NIH MLSMR collection), 584 (Promiscuous and Specific Inhibitors of AmpC Beta-Lactamase (assay with detergent) - a screen of the old NIH MLSMR collection), 1003 (Confirmation Cuvette-Based Assay for Inhibitors of AmpC Beta-Lactamase (assay with detergent))]	ChEMBL.	No reference
Potency (functional)	8.2753 uM	PUBCHEM_BIOASSAY: Primary qHTS for delayed death inhibitors of the malarial parasite plastid, 48 hour incubation. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488752, AID488774, AID504848, AID504850]	ChEMBL.	No reference
Potency (ADMET)	= 10 um	PUBCHEM_BIOASSAY: qHTS Assay for Activators of Cytochrome P450 3A4. (Class of assay: confirmatory) [Related pubchem assays: 410 ]	ChEMBL.	No reference
Potency (ADMET)	= 10 um	PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors and Substrates of Cytochrome P450 3A4. (Class of assay: confirmatory) [Related pubchem assays: 410 ]	ChEMBL.	No reference
Potency (functional)	12.5893 uM	PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of 15-hLO-2 (15-human lipoxygenase 2). (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID2312, AID2537, AID2702]	ChEMBL.	No reference
Potency (functional)	12.5893 uM	PUBCHEM_BIOASSAY: qHTS for Inhibitors of TGF-b: Cytotox Counterscreen. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588855, AID588860]	ChEMBL.	No reference
Potency (functional)	14.581 uM	PUBCHEM_BIOASSAY: Nrf2 qHTS screen for inhibitors. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID493153, AID493163, AID504648]	ChEMBL.	No reference
Potency (functional)	23.7083 uM	PubChem BioAssay: Tox21. qHTS assay for small molecule agonists of the antioxidant response element (ARE) signaling pathway. (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (functional)	89.1251 uM	PUBCHEM_BIOASSAY: qHTS for Inhibitors of Polymerase Iota. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588623]	ChEMBL.	No reference

Phenotypes

Whole-cell/tissue/organism interactions

Species name	Source	Reference	Is orphan
Plasmodium falciparum	ChEMBL23
Homo sapiens	ChEMBL23

Many chemical entities in TDR Targets come from high-throughput screenings with whole cells or tissue samples, and not all assayed compounds have been tested against a single a single target protein, probably because they get ruled out during screening process. Even if these compounds may have not been of interest in the original screening, they may come as interesting leads for other screening assays. Furthermore, we may be able to propose drug-target associations using chemical similarities and network patterns.

Annotated phenotypes:

We have no manually annotated phenotypes for this drug. What does this mean? / Care to help?

In TDR Targets, information about phenotypes that are caused by drugs, or by genetic manipulation of cells (e.g. gene knockouts or knockdowns) is manually curated from the literature. These descriptions help to describe the potential of the target for drug development. If no information is available for this gene or if the information is incomplete, this may mean that i) the papers containing this information either appeared after the curation effort for this organism was carried out or they were inadvertently missed by curators; or that ii) the curation effort for this organism has not yet started.

In any case, if you have information about papers containing relevant validation data for this target, please log in using your TDR Targets username and password and send them to us using the corresponding form in this page (only visible to registered users) or contact us.

External resources for this compound

Search by CAS
ChEMBL: CHEMBL28218
PubChem: 2448

Bibliographic References

3 literature references were collected for this gene.

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Detailed information for compound 33744