TDR Targets

Basic information

Technical information

TDR Targets ID: 1392119
Name: 2-(1-cyclopentyltetrazol-5-yl)sulfanyl-N-(4-f luorophenyl)acetamide
MW: 321.373 | Formula: C14H16FN5OS
H donors: 1 H acceptors: 4 LogP: 2.58 Rotable bonds: 6
Rule of 5 violations (Lipinski): 1
SMILES: O=C(Nc1ccc(cc1)F)CSc1nnnn1C1CCCC1
InChi: 1S/C14H16FN5OS/c15-10-5-7-11(8-6-10)16-13(21)9-22-14-17-18-19-20(14)12-3-1-2-4-12/h5-8,12H,1-4,9H2,(H,16,21)
InChiKey: CKKJUKGTCFGMRI-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

2-[(1-cyclopentyl-5-tetrazolyl)thio]-N-(4-fluorophenyl)acetamide
2-[(1-cyclopentyltetrazol-5-yl)thio]-N-(4-fluorophenyl)acetamide
2-[(1-cyclopentyl-1,2,3,4-tetrazol-5-yl)sulfanyl]-N-(4-fluorophenyl)ethanamide
ZINC01238103
MLS000529557
2-(1-Cyclopentyl-1H-tetrazol-5-ylsulfanyl)-N-(4-fluoro-phenyl)-acetamide
ASN 07870576
SMR000122032

Targets

Known targets for this compound

Species	Target name	Source	Bibliographic reference
Homo sapiens	cytochrome P450, family 2, subfamily D, polypeptide 6	Starlite/ChEMBL	No references
Homo sapiens	cytochrome P450, family 3, subfamily A, polypeptide 4	Starlite/ChEMBL	No references
Homo sapiens	cytochrome P450, family 2, subfamily C, polypeptide 19	Starlite/ChEMBL	No references

Predicted pathogen targets for this compound

By orthology

Species	Potential target	Known druggable target/s	Ortholog Group
Leishmania major	cytochrome p450-like protein	Get druggable targets OG5_126554	All targets in OG5_126554
Leishmania mexicana	cytochrome p450-like protein	Get druggable targets OG5_126554	All targets in OG5_126554
Trypanosoma cruzi	cytochrome P450, putative	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
Trypanosoma cruzi	cytochrome P450, putative	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
Candida albicans	similar to C.maltosa N-alkane inducible cytochrome P-450, ALK8 CYP52A11	Get druggable targets OG5_126554	All targets in OG5_126554
Loa Loa (eye worm)	hypothetical protein	Get druggable targets OG5_126554	All targets in OG5_126554
Mycobacterium ulcerans	cytochrome P450 185A4 Cyp185A4	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
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
Candida albicans	cytochrome P450 56	Get druggable targets OG5_126554	All targets in OG5_126554
Brugia malayi	Cytochrome P450 family protein	Get druggable targets OG5_126582	All targets in OG5_126582
Loa Loa (eye worm)	cytochrome P450 family protein	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 brucei gambiense	cytochrome P450, putative	Get druggable targets OG5_126554	All targets in OG5_126554
Trypanosoma brucei	cytochrome P450, putative	Get druggable targets OG5_126554	All targets in OG5_126554
Loa Loa (eye worm)	cytochrome P450 family protein	Get druggable targets OG5_126554	All targets in OG5_126554
Loa Loa (eye worm)	cytochrome P450 family protein	Get druggable targets OG5_126582	All targets in OG5_126582
Leishmania braziliensis	cytochrome p450-like protein	Get druggable targets OG5_126554	All targets in OG5_126554
Leishmania infantum	cytochrome p450-like 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
Candida albicans	cytochrome P450 556	Get druggable targets OG5_126554	All targets in OG5_126554
Trypanosoma congolense	cytochrome P450, putative	Get druggable targets OG5_126554	All targets in OG5_126554

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 2, subfamily D, polypeptide 6	497 aa	425 aa	32.0 %
Leishmania major	cytochrome p450-like protein	cytochrome P450, family 2, subfamily C, polypeptide 19	490 aa	411 aa	23.1 %
Brugia malayi	cytochrome P450	cytochrome P450, family 3, subfamily A, polypeptide 4	502 aa	492 aa	24.2 %

Ranking Plot

Putative Targets List

Species	Potential target	Raw	Global	Species
Echinococcus granulosus	proto oncogene tyrosine protein kinase LCK	0.0128	0.2272	0.4237
Echinococcus granulosus	defective proboscis extension response	0.0029	0.0131	0.0009
Leishmania major	adenine aminohydrolase	0.0261	0.519	1
Trypanosoma cruzi	trypanothione reductase, putative	0.0046	0.0492	0.3655
Mycobacterium tuberculosis	Probable oxidoreductase	0.0117	0.2032	0.3277
Echinococcus granulosus	tyrosine protein kinase HCK	0.0098	0.1635	0.2981
Schistosoma mansoni	vesicular amine transporter	0.0029	0.0131	0.0231
Loa Loa (eye worm)	AMP deaminase	0.0085	0.1347	0.1347
Trypanosoma brucei	AMP deaminase, putative	0.0085	0.1347	1
Onchocerca volvulus	Adenosine deaminase homolog	0.0261	0.519	0.4825
Echinococcus granulosus	tyrosine protein kinase Blk	0.0113	0.1958	0.3617
Plasmodium vivax	adenosine/AMP deaminase, putative	0.0085	0.1347	0.1819
Echinococcus multilocularis	tyrosine protein kinase ABL1	0.0224	0.4372	0.8384
Echinococcus multilocularis	tyrosine protein kinase Src64B	0.0128	0.2272	0.4237
Brugia malayi	Cytochrome P450 family protein	0.0036	0.0272	0.0272
Echinococcus granulosus	adenosine deaminase	0.0261	0.519	1
Echinococcus granulosus	tyrosine protein kinase Lyn	0.0128	0.2272	0.4237
Trypanosoma cruzi	AMP deaminase, putative	0.0085	0.1347	1
Mycobacterium tuberculosis	Probable nitrite reductase [NAD(P)H] large subunit [FAD flavoprotein] NirB	0.0105	0.1777	0.2734
Echinococcus granulosus	neurotracting:lsamp:neurotrimin:obcam	0.0039	0.034	0.0422
Schistosoma mansoni	tyrosine kinase	0.0209	0.405	0.7797
Loa Loa (eye worm)	hypothetical protein	0.0176	0.3333	0.3333
Leishmania major	AMP deaminase, putative	0.0085	0.1347	0.2594
Echinococcus multilocularis	Immunoglobulin	0.0029	0.0131	0.0009
Schistosoma mansoni	nck2/grb4	0.0029	0.0126	0.0222
Entamoeba histolytica	adenosine deaminase, putative	0.0261	0.519	1
Brugia malayi	adenosine monophosphate deaminase	0.0085	0.1347	0.1347
Echinococcus granulosus	tyrosine protein kinase Src64B	0.0128	0.2272	0.4237
Schistosoma mansoni	cell adhesion molecule	0.0039	0.034	0.0635
Echinococcus multilocularis	tyrosine protein kinase Fyn	0.0128	0.2272	0.4237
Brugia malayi	glutathione reductase	0.0046	0.0492	0.0492
Echinococcus granulosus	c src tyrosine kinase	0.0036	0.0275	0.0294
Loa Loa (eye worm)	hypothetical protein	0.0046	0.0503	0.0503
Loa Loa (eye worm)	SRC-1	0.0128	0.2272	0.2272
Schistosoma mansoni	defective proboscis extension response (dpr)-related	0.0029	0.0131	0.0231
Leishmania major	AMP deaminase, putative,amp deaminase-like protein	0.0085	0.1347	0.2594
Brugia malayi	protein-tyrosine kinase	0.0113	0.1958	0.1958
Brugia malayi	Tyrosine-protein kinase abl-1	0.0125	0.2214	0.2214
Trypanosoma brucei	adenosine monophosphate deaminase, putative	0.0085	0.1347	1
Loa Loa (eye worm)	TK/ABL protein kinase	0.0224	0.4372	0.4372
Trypanosoma cruzi	adenosine monophosphate deaminase-like protein, putative	0.0085	0.1347	1
Trypanosoma cruzi	AMP deaminase, putative	0.0085	0.1347	1
Loa Loa (eye worm)	hypothetical protein	0.0176	0.3333	0.3333
Echinococcus granulosus	twitchin	0.0037	0.0294	0.0333
Echinococcus granulosus	AMP deaminase 2	0.0085	0.1347	0.241
Echinococcus multilocularis	tyrosine protein kinase Blk	0.0113	0.1958	0.3617
Brugia malayi	Variant SH3 domain containing protein	0.0029	0.0126	0.0126
Trypanosoma cruzi	adenosine monophosphate deaminase, putative	0.0085	0.1347	1
Loa Loa (eye worm)	cytochrome P450 family protein	0.0036	0.0272	0.0272
Brugia malayi	SRC-1	0.0128	0.2272	0.2272
Echinococcus multilocularis	proto oncogene tyrosine protein kinase LCK	0.0128	0.2272	0.4237
Echinococcus multilocularis	neuroglian	0.0037	0.0294	0.0333
Loa Loa (eye worm)	hypothetical protein	0.0085	0.1347	0.1347
Toxoplasma gondii	Adenosine/AMP deaminase domain-containing protein	0.0261	0.519	1
Loa Loa (eye worm)	hypothetical protein	0.0029	0.0131	0.0131
Echinococcus granulosus	Immunoglobulin	0.0029	0.0131	0.0009
Trypanosoma brucei	trypanothione reductase	0.0046	0.0492	0.3655
Echinococcus multilocularis	tyrosine protein kinase Src42A	0.0128	0.2272	0.4237
Treponema pallidum	adenosine deaminase	0.0261	0.519	0.5
Schistosoma mansoni	nephrin	0.0037	0.0294	0.0547
Mycobacterium tuberculosis	Probable membrane NADH dehydrogenase NdhA	0.0105	0.1777	0.2734
Echinococcus granulosus	tyrosine protein kinase Fyn	0.0128	0.2272	0.4237
Mycobacterium tuberculosis	Putative ferredoxin reductase	0.0105	0.1777	0.2734
Echinococcus granulosus	3'partial\|tyrosine protein kinase Fgr	0.0128	0.2272	0.4237
Loa Loa (eye worm)	hypothetical protein	0.0029	0.0131	0.0131
Loa Loa (eye worm)	hypothetical protein	0.0029	0.0131	0.0131
Trichomonas vaginalis	adenosine deaminase, putative	0.0261	0.519	0.5
Mycobacterium tuberculosis	Probable dehydrogenase	0.0105	0.1777	0.2734
Mycobacterium tuberculosis	Probable reductase	0.0105	0.1777	0.2734
Echinococcus multilocularis	Immunoglobulin	0.0029	0.0131	0.0009
Echinococcus multilocularis	adenosine deaminase	0.0261	0.519	1
Echinococcus multilocularis	tyrosine protein kinase lyn lyn a protein tyrosine kinase lymphocyte specific protein tyrosine kinase	0.0128	0.2272	0.4237
Brugia malayi	Sex muscle abnormal protein 5	0.0029	0.0126	0.0126
Echinococcus multilocularis	tyrosine protein kinase Src42A	0.0106	0.1809	0.3323
Echinococcus multilocularis	tyrosine protein kinase Fyn	0.0128	0.2272	0.4237
Mycobacterium tuberculosis	Dihydrolipoamide dehydrogenase LpdC (lipoamide reductase (NADH)) (lipoyl dehydrogenase) (dihydrolipoyl dehydrogenase) (diaphoras	0.0117	0.2032	0.3277
Echinococcus granulosus	tyrosine kinase	0.0113	0.1958	0.3617
Loa Loa (eye worm)	sex muscle abnormal protein 5	0.0029	0.0126	0.0126
Schistosoma mansoni	tyrosine kinase	0.0128	0.2272	0.4365
Brugia malayi	Variant SH3 domain containing protein	0.0029	0.0126	0.0126
Plasmodium vivax	adenosine deaminase, putative	0.0261	0.519	1
Schistosoma mansoni	tyrosine kinase	0.0036	0.0275	0.0509
Plasmodium falciparum	AMP deaminase, putative	0.0085	0.1347	0.1819
Echinococcus granulosus	tyrosine protein kinase ABL1	0.0224	0.4372	0.8384
Loa Loa (eye worm)	hypothetical protein	0.0176	0.3333	0.3333
Loa Loa (eye worm)	hypothetical protein	0.0029	0.0126	0.0126
Echinococcus granulosus	tyrosine protein kinase Src42A	0.0128	0.2272	0.4237
Echinococcus multilocularis	thioredoxin glutathione reductase	0.0046	0.0492	0.0723
Loa Loa (eye worm)	hypothetical protein	0.0261	0.519	0.519
Schistosoma mansoni	Neurotrimin precursor (hNT)	0.0029	0.0131	0.0231
Mycobacterium leprae	DIHYDROLIPOAMIDE DEHYDROGENASE LPD (LIPOAMIDE REDUCTASE (NADH)) (LIPOYL DEHYDROGENASE) (DIHYDROLIPOYL DEHYDROGENASE) (DIAPHORASE	0.0117	0.2032	0.0748
Trypanosoma brucei	AMP deaminase, putative	0.0085	0.1347	1
Loa Loa (eye worm)	hypothetical protein	0.0029	0.0131	0.0131
Schistosoma mansoni	adenosine deaminase-related	0.0261	0.519	1
Schistosoma mansoni	proto-oncogene tyrosine-protein kinase src	0.0036	0.0275	0.0509
Trypanosoma brucei	AMP deaminase, putative	0.0085	0.1347	1
Schistosoma mansoni	growth factor receptor-bound protein	0.0029	0.0126	0.0222
Schistosoma mansoni	proto-oncogene tyrosine-protein kinase abl1	0.0029	0.0126	0.0222
Schistosoma mansoni	AMP deaminase	0.0085	0.1347	0.2579
Mycobacterium tuberculosis	Probable adenosine deaminase Add (adenosine aminohydrolase)	0.0261	0.519	1
Brugia malayi	Tyrosine-protein kinase abl-1	0.0113	0.1961	0.1961
Onchocerca volvulus	Tyrosine kinase homolog	0.045	0.9313	1
Toxoplasma gondii	AMP deaminase	0.0085	0.1347	0.1819
Loa Loa (eye worm)	hypothetical protein	0.0084	0.1325	0.1325
Echinococcus multilocularis	roundabout 2	0.0046	0.0503	0.0746
Onchocerca volvulus		0.0436	0.9001	0.9608
Mycobacterium tuberculosis	NAD(P)H quinone reductase LpdA	0.0117	0.2032	0.3277
Trypanosoma cruzi	AMP deaminase, putative	0.0085	0.1347	1
Echinococcus multilocularis	tyrosine protein kinase Btk29A	0.0036	0.0275	0.0294
Schistosoma mansoni	growth factor receptor-bound protein	0.0029	0.0126	0.0222
Loa Loa (eye worm)	TK/KIN16 protein kinase	0.0482	1	1
Leishmania major	AMP deaminase, putative,adenosine monophosphate deaminase-like protein	0.0085	0.1347	0.2594
Brugia malayi	Thioredoxin reductase	0.0046	0.0492	0.0492
Loa Loa (eye worm)	hypothetical protein	0.0046	0.0503	0.0503
Plasmodium falciparum	adenosine deaminase	0.0261	0.519	1
Echinococcus multilocularis	c src tyrosine kinase	0.0036	0.0275	0.0294
Echinococcus granulosus	tyrosine kinase\|tyrosine protein kinase Fyn	0.0113	0.1958	0.3617
Schistosoma mansoni	adapter molecule crk	0.0029	0.0126	0.0222
Echinococcus granulosus	tyrosine protein kinase Btk29A	0.0036	0.0275	0.0294
Loa Loa (eye worm)	hypothetical protein	0.0029	0.0131	0.0131
Echinococcus multilocularis	tyrosine protein kinase Srms	0.0113	0.1958	0.3617
Trypanosoma cruzi	AMP deaminase 2, putative	0.0085	0.1347	1
Echinococcus granulosus	tyrosine protein kinase Fyn	0.0128	0.2272	0.4237
Leishmania major	hypothetical protein, conserved	0.0085	0.1347	0.2594
Mycobacterium leprae	Probable adenosine deaminase Add (ADENOSINE AMINOHYDROLASE)	0.0261	0.519	1
Trichomonas vaginalis	adenosine deaminase, putative	0.0261	0.519	0.5
Echinococcus multilocularis	tyrosine protein kinase lyn tyrosine protein kinase blk	0.0128	0.2272	0.4237
Loa Loa (eye worm)	hypothetical protein	0.0039	0.034	0.034
Leishmania major	trypanothione reductase	0.0046	0.0492	0.0948
Toxoplasma gondii	Adenosine/AMP deaminase domain-containing protein	0.0261	0.519	1
Echinococcus multilocularis	tyrosine protein kinase Fyn	0.0128	0.2272	0.4237
Trypanosoma cruzi	AMP deaminase, putative	0.0085	0.1347	1
Echinococcus granulosus	roundabout 2	0.0046	0.0503	0.0746
Schistosoma mansoni	adenosine deaminase	0.0261	0.519	1
Leishmania major	adenosine monophosphate deaminase, putative,AMP deaminase, putative	0.0085	0.1347	0.2594
Brugia malayi	Fibronectin type III domain containing protein	0.0029	0.0131	0.0131
Loa Loa (eye worm)	hypothetical protein	0.0176	0.3333	0.3333
Loa Loa (eye worm)	hypothetical protein	0.0029	0.0131	0.0131
Echinococcus multilocularis	tyrosine protein kinase HCK	0.0098	0.1635	0.2981
Schistosoma mansoni	tyrosine kinase	0.0128	0.2272	0.4365
Echinococcus multilocularis	tyrosine protein kinase Fyn	0.0113	0.1958	0.3617
Brugia malayi	Immunoglobulin I-set domain containing protein	0.0029	0.0131	0.0131
Echinococcus multilocularis	AMP deaminase 2	0.0085	0.1347	0.241
Echinococcus granulosus	thioredoxin glutathione reductase	0.0046	0.0492	0.0723
Loa Loa (eye worm)	thioredoxin reductase	0.0046	0.0492	0.0492
Entamoeba histolytica	protein kinase, putative	0.0098	0.1635	0.0751
Brugia malayi	hypothetical protein	0.0029	0.0131	0.0131
Schistosoma mansoni	tyrosine kinase	0.0036	0.0275	0.0509
Echinococcus multilocularis	tyrosine protein kinase Abl	0.0113	0.1961	0.3624
Loa Loa (eye worm)	TK protein kinase	0.0098	0.1635	0.1635
Loa Loa (eye worm)	variant SH3 domain-containing protein	0.0029	0.0126	0.0126
Mycobacterium ulcerans	adenosine deaminase	0.0261	0.519	1
Entamoeba histolytica	adenosine deaminase, putative	0.0261	0.519	1
Mycobacterium tuberculosis	Probable NADH dehydrogenase Ndh	0.0105	0.1777	0.2734
Brugia malayi	Adenosine/AMP deaminase family protein	0.0261	0.519	0.519
Echinococcus granulosus	neuroglian	0.0037	0.0294	0.0333
Echinococcus multilocularis	basement membrane specific heparan sulfate	0.0029	0.0131	0.0009
Loa Loa (eye worm)	TK protein kinase	0.0113	0.1958	0.1958
Echinococcus multilocularis	tyrosine protein kinase Fgr	0.0128	0.2272	0.4237
Trypanosoma cruzi	AMP deaminase, putative	0.0085	0.1347	1
Loa Loa (eye worm)	glutathione reductase	0.0046	0.0492	0.0492
Echinococcus granulosus	tyrosine protein kinase Src42A	0.0106	0.1809	0.3323
Echinococcus granulosus	tyrosine protein kinase Fyn	0.0128	0.2272	0.4237

Activities

Activity type	Activity value	Assay description	Source	Reference
AC50 (functional)	= 1.995262315 uM	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)	= 14.12537545 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)	= 14.12537545 uM	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)	= 25.11886432 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
AC50 (functional)	= 31.6227766 uM	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
Potency (functional)	5.2213 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)	18.526 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)	= 22.3872 um	PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Aldehyde Dehydrogenase 1 (ALDH1A1). (Class of assay: confirmatory) [Related pubchem assays: 1030 (qHTS Validation Assay for Inhibitors of aldehyde dehydrogenase 1 (ALDH1A1))]	ChEMBL.	No reference
Potency (functional)	32.6427 uM	PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of RanGTP induced Rango (Ran-regulated importin-beta cargo) - Importin beta complex dissociation. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID540262]	ChEMBL.	No reference
Potency (functional)	35.4813 uM	PUBCHEM_BIOASSAY: qHTS for Inhibitors of TGF-b. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588856, AID588860]	ChEMBL.	No reference
Potency (functional)	50.1187 uM	PubChem BioAssay. qHTS of PTHR Inhibitors: Primary Screen. (Class of assay: confirmatory)	ChEMBL.	No reference

Phenotypes

Whole-cell/tissue/organism interactions

Species name	Source	Reference	Is orphan
Plasmodium falciparum	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

ChEMBL: CHEMBL1528993

Bibliographic References

No literature references available for this target.

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Detailed information for compound 1392119