TDR Targets

Basic information

Technical information

TDR Targets ID: 1428465
Name: (1R,2R)-2-[(R)-[di(phenyl)phosphorylamino]-ph enylmethyl]-N-[(5-methylfuran-2-yl)methyl]cyc lopropane-1-carboxamide
MW: 484.526 | Formula: C29H29N2O3P
H donors: 2 H acceptors: 2 LogP: 4.45 Rotable bonds: 10
Rule of 5 violations (Lipinski): 1
SMILES: Cc1ccc(o1)CNC(=O)[C@@H]1C[C@H]1[C@H](c1ccccc1)NP(=O)(c1ccccc1)c1ccccc1
InChi: 1S/C29H29N2O3P/c1-21-17-18-23(34-21)20-30-29(32)27-19-26(27)28(22-11-5-2-6-12-22)31-35(33,24-13-7-3-8-14-24)25-15-9-4-10-16-25/h2-18,26-28H,19-20H2,1H3,(H,30,32)(H,31,33)/t26-,27-,28+/m1/s1
InChiKey: AMEKFZSDKNRZRL-FCEKVYKBSA-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

(1R,2R)-2-[(R)-[di(phenyl)phosphorylamino]-phenyl-methyl]-N-[(5-methyl-2-furyl)methyl]cyclopropane-1-carboxamide
(1R,2R)-2-[(R)-[di(phenyl)phosphorylamino]-phenylmethyl]-N-[(5-methyl-2-furyl)methyl]-1-cyclopropanecarboxamide
(1R,2R)-2-[(R)-[di(phenyl)phosphorylamino]-phenyl-methyl]-N-[(5-methylfuran-2-yl)methyl]cyclopropane-1-carboxamide
CMLD4_000077
UPCMLD04ASTW002139
SDCCGMLS-0091186.P001
NCGC00074198-01

Targets

Known targets for this compound

Species	Target name	Source	Bibliographic reference
Homo sapiens	thyroid stimulating hormone receptor	Starlite/ChEMBL	No references
Homo sapiens	cytochrome P450, family 3, subfamily A, polypeptide 4	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)	CYP4Cod1	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
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
Leishmania infantum	cytochrome p450-like 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
Leishmania major	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
Brugia malayi	Cytochrome P450 family protein	Get druggable targets OG5_126554	All targets in OG5_126554
Brugia malayi	follicle stimulating hormone receptor	Get druggable targets OG5_130089	All targets in OG5_130089
Trypanosoma congolense	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
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
Trypanosoma cruzi	cytochrome P450, putative	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
Leishmania donovani	cytochrome p450-like 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
Trypanosoma brucei	cytochrome P450, putative	Get druggable targets OG5_126554	All targets in OG5_126554
Loa Loa (eye worm)	follicle stimulating hormone receptor	Get druggable targets OG5_130089	All targets in OG5_130089
Candida albicans	cytochrome P450 56	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
Loa Loa (eye worm)	cytochrome P450 family protein	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
Candida albicans	similar to C.maltosa N-alkane inducible cytochrome P-450, ALK8 CYP52A11	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 3, subfamily A, polypeptide 4	502 aa	492 aa	24.2 %

Ranking Plot

Putative Targets List

Species	Potential target	Raw	Global	Species
Onchocerca volvulus		0.0024	0.0001	0.5
Brugia malayi	neuropeptide F receptor	0.0024	0.0001	0.0003
Onchocerca volvulus		0.0024	0.0001	0.5
Echinococcus granulosus	abhydrolase domain containing 3	0.0025	0.0015	0.0022
Loa Loa (eye worm)	hypothetical protein	0.0025	0.0015	0.0015
Brugia malayi	neuropeptide F receptor	0.0024	0.0001	0.0003
Loa Loa (eye worm)	hypothetical protein	0.0024	0.0001	0.0001
Brugia malayi	follicle stimulating hormone receptor	0.0301	0.2209	0.4597
Loa Loa (eye worm)	hypothetical protein	0.0024	0.0001	0.0001
Echinococcus multilocularis	geminin	0.0205	0.144	0.2236
Mycobacterium ulcerans	amidase	0.0076	0.0416	0.1288
Schistosoma mansoni	peptidase	0.0025	0.0015	0.0022
Trypanosoma brucei	Alpha/beta hydrolase family, putative	0.0025	0.0015	0.0048
Echinococcus granulosus	microtubule associated protein 2	0.0833	0.6435	1
Mycobacterium ulcerans	amidase	0.0076	0.0416	0.1288
Loa Loa (eye worm)	hypothetical protein	0.0024	0.0001	0.0001
Trypanosoma brucei	phosphoglycerate kinase	0.0191	0.1329	0.4117
Brugia malayi	Dopamine receptor protein 2	0.0024	0.0001	0.0003
Schistosoma mansoni	microtubule-associated protein tau	0.0833	0.6435	1
Loa Loa (eye worm)	hypothetical protein	0.0024	0.0001	0.0001
Echinococcus multilocularis	abhydrolase domain containing 3	0.0025	0.0015	0.0022
Mycobacterium ulcerans	phosphoglycerate kinase	0.0191	0.1329	0.4117
Brugia malayi	hypothetical protein	0.0024	0.0001	0.0003
Brugia malayi	putative amidase	0.0076	0.0416	0.0866
Schistosoma mansoni	family S9 unassigned peptidase (S09 family)	0.0025	0.0015	0.0022
Brugia malayi	MGC79044 protein	0.0025	0.0015	0.0032
Brugia malayi	hypothetical protein	0.0024	0.0001	0.0003
Echinococcus granulosus	geminin	0.0205	0.144	0.2236
Loa Loa (eye worm)	fli-1 protein	0.0246	0.1772	0.1772
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0048	0.0193	0.0298
Loa Loa (eye worm)	neuropeptide F receptor	0.0024	0.0001	0.0001
Loa Loa (eye worm)	hypothetical protein	0.0024	0.0001	0.0001
Trypanosoma cruzi	phosphoglycerate kinase, putative	0.0191	0.1329	0.4117
Loa Loa (eye worm)	hypothetical protein	0.0024	0.0001	0.0001
Schistosoma mansoni	fatty-acid amide hydrolase	0.0076	0.0416	0.0644
Loa Loa (eye worm)	gonadotropin-releasing hormone receptor 2	0.0024	0.0001	0.0001
Mycobacterium tuberculosis	Probable amidase AmiD (acylamidase) (acylase)	0.0076	0.0416	0.1247
Leishmania major	hypothetical protein, conserved	0.0025	0.0015	0.0048
Onchocerca volvulus		0.0024	0.0001	0.5
Toxoplasma gondii	phosphoglycerate kinase PGKI	0.0191	0.1329	1
Trichomonas vaginalis	Clan SC, family S33, methylesterase-like serine peptidase	0.043	0.3229	1
Loa Loa (eye worm)	hypothetical protein	0.0024	0.0001	0.0001
Loa Loa (eye worm)	G-protein-linked acetylcholine receptor protein 2	0.0024	0.0001	0.0001
Schistosoma mansoni	glutamyl-tRNA(Gln) amidotransferase subunit A	0.0076	0.0416	0.0644
Loa Loa (eye worm)	hypothetical protein	0.0024	0.0001	0.0001
Leishmania major	phosphoglycerate kinase C, glycosomal	0.0191	0.1329	0.4117
Loa Loa (eye worm)	hypothetical protein	0.1282	1	1
Loa Loa (eye worm)	hypothetical protein	0.0024	0.0001	0.0001
Loa Loa (eye worm)	hypothetical protein	0.0024	0.0001	0.0001
Trypanosoma cruzi	serine peptidase, putative	0.0025	0.0015	0.0048
Brugia malayi	Serotonin receptor	0.0024	0.0001	0.0003
Trypanosoma brucei	phosphoglycerate kinase	0.007	0.037	0.1147
Brugia malayi	MGC83647 protein	0.0025	0.0015	0.0032
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0048	0.0193	0.0298
Brugia malayi	Phosphoglycerate kinase	0.007	0.037	0.0771
Trypanosoma cruzi	Alpha/beta hydrolase family, putative	0.0025	0.0015	0.0048
Brugia malayi	Dopamine receptor	0.0024	0.0001	0.0003
Loa Loa (eye worm)	hypothetical protein	0.0024	0.0001	0.0001
Schistosoma mansoni	amidase	0.0628	0.4805	0.7465
Schistosoma mansoni	aldehyde dehydrogenase	0.0073	0.0397	0.0614
Loa Loa (eye worm)	hypothetical protein	0.0024	0.0001	0.0001
Mycobacterium ulcerans	aspartyl/glutamyl-tRNA amidotransferase subunit A	0.0076	0.0416	0.1288
Brugia malayi	hypothetical protein	0.0024	0.0001	0.0003
Onchocerca volvulus		0.0024	0.0001	0.5
Brugia malayi	Serotonin/octopamine receptor family protein 7	0.0024	0.0001	0.0003
Loa Loa (eye worm)	hypothetical protein	0.0025	0.0015	0.0015
Loa Loa (eye worm)	hypothetical protein	0.0024	0.0001	0.0001
Loa Loa (eye worm)	hypothetical protein	0.0024	0.0001	0.0001
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0048	0.0193	0.0298
Brugia malayi	Dopamine receptor protein 1	0.0024	0.0001	0.0003
Trypanosoma brucei	Alpha/beta hydrolase family, putative	0.0025	0.0015	0.0048
Brugia malayi	Dopamine receptor protein 1, putative (partial)	0.0024	0.0001	0.0003
Echinococcus granulosus	GA binding protein alpha chain	0.0081	0.0459	0.0711
Schistosoma mansoni	hypothetical protein	0.0205	0.144	0.2236
Loa Loa (eye worm)	hypothetical protein	0.0024	0.0001	0.0001
Brugia malayi	Tachykinin-like peptides receptor 99D	0.0024	0.0001	0.0003
Brugia malayi	hypothetical protein	0.0024	0.0001	0.0003
Brugia malayi	G-protein-linked acetylcholine receptor protein 2, putative	0.0024	0.0001	0.0003
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0048	0.0193	0.0298
Trypanosoma cruzi	Serine peptidase, Clan SC, Family S09X, putative	0.0025	0.0015	0.0048
Chlamydia trachomatis	phosphoglycerate kinase	0.0191	0.1329	1
Brugia malayi	Cytochrome P450 family protein	0.0059	0.0282	0.0587
Brugia malayi	hypothetical protein	0.0024	0.0001	0.0003
Brugia malayi	Unidentified vitellogenin-linked transcript protein 6, putative	0.0024	0.0001	0.0003
Loa Loa (eye worm)	GTP-binding regulatory protein Gs alpha-S chain	0.0048	0.0193	0.0193
Trichomonas vaginalis	valacyclovir hydrolase, putative	0.043	0.3229	1
Trypanosoma cruzi	phosphoglycerate kinase, putative	0.0191	0.1329	0.4117
Trypanosoma cruzi	PAS-domain containing phosphoglycerate kinase, putative	0.007	0.037	0.1147
Plasmodium falciparum	lysophospholipase, putative	0.043	0.3229	1
Loa Loa (eye worm)	hypothetical protein	0.0024	0.0001	0.0001
Trypanosoma brucei	Serine peptidase, Clan SC, Family S09X	0.0025	0.0015	0.0048
Brugia malayi	larval opioid receptor	0.0024	0.0001	0.0003
Brugia malayi	Phosphoglycerate kinase	0.0191	0.1329	0.2767
Plasmodium falciparum	phosphoglycerate kinase	0.0191	0.1329	0.4089
Mycobacterium ulcerans	aldehyde dehydrogenase	0.0073	0.0397	0.1228
Plasmodium falciparum	glutamyl-tRNA(Gln) amidotransferase subunit A	0.0076	0.0416	0.1247
Mycobacterium tuberculosis	Possible amidase (aminohydrolase)	0.0076	0.0416	0.1247
Loa Loa (eye worm)	hypothetical protein	0.0025	0.0015	0.0015
Loa Loa (eye worm)	hypothetical protein	0.0069	0.0365	0.0365
Echinococcus multilocularis	glutamyl tRNA(Gln) amidotransferase subunit A	0.0076	0.0416	0.0644
Brugia malayi	hypothetical protein	0.0024	0.0001	0.0003
Onchocerca volvulus		0.0024	0.0001	0.5
Mycobacterium tuberculosis	Probable amidase AmiC (aminohydrolase)	0.0076	0.0416	0.1247
Loa Loa (eye worm)	hypothetical protein	0.0024	0.0001	0.0001
Trichomonas vaginalis	Clan SC, family S33, methylesterase-like serine peptidase	0.043	0.3229	1
Loa Loa (eye worm)	hypothetical protein	0.0024	0.0001	0.0001
Trichomonas vaginalis	Clan SC, family S33, methylesterase-like serine peptidase	0.043	0.3229	1
Brugia malayi	Serotonin receptor	0.0024	0.0001	0.0003
Loa Loa (eye worm)	hypothetical protein	0.0024	0.0001	0.0001
Schistosoma mansoni	hypothetical protein	0.0205	0.144	0.2236
Echinococcus granulosus	fatty acid amide hydrolase 1	0.0076	0.0416	0.0644
Toxoplasma gondii	phosphoglycerate kinase PGKII	0.0191	0.1329	1
Mycobacterium tuberculosis	Probable phosphoglycerate kinase Pgk	0.0191	0.1329	0.4089
Loa Loa (eye worm)	hypothetical protein	0.0024	0.0001	0.0001
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0048	0.0193	0.0298
Loa Loa (eye worm)	hypothetical protein	0.0024	0.0001	0.0001
Loa Loa (eye worm)	hypothetical protein	0.0191	0.1329	0.1329
Loa Loa (eye worm)	hypothetical protein	0.0024	0.0001	0.0001
Trichomonas vaginalis	Clan SC, family S33, methylesterase-like serine peptidase	0.043	0.3229	1
Mycobacterium ulcerans	amidase	0.0076	0.0416	0.1288
Leishmania major	hypothetical protein, conserved	0.0025	0.0015	0.0048
Trypanosoma cruzi	phosphoglycerate kinase, putative	0.007	0.037	0.1147
Loa Loa (eye worm)	hypothetical protein	0.0025	0.0015	0.0015
Mycobacterium ulcerans	peptide amidase, GatA	0.0076	0.0416	0.1288
Brugia malayi	putative neuropeptide receptor	0.0024	0.0001	0.0003
Onchocerca volvulus		0.0024	0.0001	0.5
Mycobacterium leprae	Probable phosphoglycerate kinase Pgk	0.0191	0.1329	0.3247
Loa Loa (eye worm)	hypothetical protein	0.0024	0.0001	0.0001
Loa Loa (eye worm)	hypothetical protein	0.0024	0.0001	0.0001
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0048	0.0193	0.0298
Echinococcus multilocularis	Phospholipase carboxylesterase	0.0025	0.0015	0.0022
Loa Loa (eye worm)	hypothetical protein	0.0024	0.0001	0.0001
Loa Loa (eye worm)	hypothetical protein	0.0024	0.0001	0.0001
Mycobacterium tuberculosis	Probable amidase AmiB2 (aminohydrolase)	0.0076	0.0416	0.1247
Mycobacterium ulcerans	lysophospholipase	0.043	0.3229	1
Loa Loa (eye worm)	melatonin receptor type 1A	0.0024	0.0001	0.0001
Chlamydia trachomatis	glutamyl-tRNA(Gln) amidotransferase subunit A	0.0076	0.0416	0.3049
Trichomonas vaginalis	phosphoglycerate kinase, putative	0.0191	0.1329	0.4089
Entamoeba histolytica	hydrolase, alpha/beta fold family domain containing protein	0.043	0.3229	1
Trichomonas vaginalis	conserved hypothetical protein	0.043	0.3229	1
Trypanosoma cruzi	Alpha/beta hydrolase family, putative	0.0025	0.0015	0.0048
Mycobacterium ulcerans	amidase	0.0076	0.0416	0.1288
Schistosoma mansoni	fatty-acid amide hydrolase	0.0628	0.4805	0.7465
Onchocerca volvulus		0.0024	0.0001	0.5
Brugia malayi	Protein C20orf22	0.0025	0.0015	0.0032
Trypanosoma brucei	monoglyceride lipase, putative	0.043	0.3229	1
Loa Loa (eye worm)	G-protein coupled receptor	0.0024	0.0001	0.0001
Onchocerca volvulus		0.0024	0.0001	0.5
Brugia malayi	hypothetical protein	0.0024	0.0001	0.0003
Brugia malayi	Fli-1 protein	0.0246	0.1772	0.3687
Loa Loa (eye worm)	hypothetical protein	0.0024	0.0001	0.0001
Mycobacterium ulcerans	hypothetical protein	0.0025	0.0015	0.0048
Echinococcus multilocularis	fatty acid amide hydrolase 1	0.0628	0.4805	0.7465
Loa Loa (eye worm)	hypothetical protein	0.0024	0.0001	0.0001
Schistosoma mansoni	phosphoglycerate kinase	0.0191	0.1329	0.2064
Trypanosoma cruzi	hydrolase, alpha/beta fold family, putative	0.0025	0.0015	0.0048
Loa Loa (eye worm)	amidase	0.0076	0.0416	0.0416
Brugia malayi	hypothetical protein	0.0024	0.0001	0.0003
Mycobacterium tuberculosis	Probable amidase AmiA2 (aminohydrolase)	0.0076	0.0416	0.1247
Loa Loa (eye worm)	cytochrome P450 family protein	0.0059	0.0282	0.0282
Loa Loa (eye worm)	hypothetical protein	0.0024	0.0001	0.0001
Trichomonas vaginalis	conserved hypothetical protein	0.043	0.3229	1
Schistosoma mansoni	aldehyde dehydrogenase	0.0073	0.0397	0.0614
Leishmania major	aldehyde dehydrogenase, mitochondrial precursor	0.0073	0.0397	0.1228
Echinococcus granulosus	Phospholipase carboxylesterase	0.0025	0.0015	0.0022
Mycobacterium ulcerans	hypothetical protein	0.0025	0.0015	0.0048
Loa Loa (eye worm)	unidentified vitellogenin-linked transcript protein 6	0.0024	0.0001	0.0001
Echinococcus multilocularis	GA binding protein alpha chain	0.0081	0.0459	0.0711
Schistosoma mansoni	gabp alpha	0.0081	0.0459	0.0711
Echinococcus multilocularis	microtubule associated protein 2	0.0833	0.6435	1
Trypanosoma cruzi	amidase, putative	0.0076	0.0416	0.1288
Loa Loa (eye worm)	amidase	0.0076	0.0416	0.0416
Toxoplasma gondii	aldehyde dehydrogenase	0.0073	0.0397	0.2902
Loa Loa (eye worm)	G-protein coupled receptor	0.0024	0.0001	0.0001
Loa Loa (eye worm)	hypothetical protein	0.0024	0.0001	0.0001
Mycobacterium tuberculosis	Possible lysophospholipase	0.043	0.3229	1
Brugia malayi	Amidase family protein	0.0076	0.0416	0.0866
Loa Loa (eye worm)	hypothetical protein	0.0024	0.0001	0.0001
Mycobacterium ulcerans	hypothetical protein	0.043	0.3229	1
Trypanosoma brucei	phosphoglycerate kinase	0.0191	0.1329	0.4117
Brugia malayi	G-protein coupled receptor	0.0024	0.0001	0.0003
Onchocerca volvulus		0.0024	0.0001	0.5
Loa Loa (eye worm)	hypothetical protein	0.0024	0.0001	0.0001
Loa Loa (eye worm)	hypothetical protein	0.0024	0.0001	0.0001
Onchocerca volvulus		0.0024	0.0001	0.5
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0048	0.0193	0.0298
Loa Loa (eye worm)	hypothetical protein	0.0628	0.4805	0.4805
Onchocerca volvulus		0.0024	0.0001	0.5
Leishmania major	Bem46-like serine peptidase,Serine peptidase, Clan SC, Family S09X	0.0025	0.0015	0.0048
Entamoeba histolytica	phosphoglycerate kinase, putative	0.0191	0.1329	0.4089
Wolbachia endosymbiont of Brugia malayi	phosphoglycerate kinase	0.0191	0.1329	1
Onchocerca volvulus	Dopamine\/Ecdysteroid receptor homolog	0.0024	0.0001	0.5
Treponema pallidum	phosphoglycerate kinase	0.0191	0.1329	1
Trypanosoma cruzi	phosphoglycerate kinase, putative	0.007	0.037	0.1147
Loa Loa (eye worm)	D-ets-4 DNA binding domain-containing protein	0.0081	0.0459	0.0459
Mycobacterium ulcerans	amidase	0.0076	0.0416	0.1288
Onchocerca volvulus		0.0024	0.0001	0.5
Echinococcus granulosus	monoacylglycerol lipase abhd12	0.0025	0.0015	0.0022
Plasmodium vivax	PST-A protein	0.043	0.3229	1
Loa Loa (eye worm)	hypothetical protein	0.0024	0.0001	0.0001
Trypanosoma brucei	monoglyceride lipase, putative	0.043	0.3229	1
Echinococcus granulosus	fatty acid amide hydrolase 1	0.0628	0.4805	0.7465
Plasmodium falciparum	lysophospholipase, putative	0.043	0.3229	1
Trypanosoma brucei	fatty-acid amide hydrolase, putative	0.0076	0.0416	0.1288
Brugia malayi	G protein-coupled receptor	0.0024	0.0001	0.0003
Trypanosoma cruzi	Alpha/beta hydrolase family, putative	0.0025	0.0015	0.0048
Loa Loa (eye worm)	hypothetical protein	0.0024	0.0001	0.0001
Echinococcus granulosus	glutamyl tRNAGln amidotransferase subunit A	0.0076	0.0416	0.0644
Brugia malayi	sulfakinin receptor protein	0.0024	0.0001	0.0003
Leishmania major	phosphoglycerate kinase B, cytosolic	0.0191	0.1329	0.4117
Echinococcus multilocularis	phosphoglycerate kinase 1	0.0191	0.1329	0.2064
Loa Loa (eye worm)	hypothetical protein	0.0024	0.0001	0.0001
Echinococcus granulosus	fatty acid amide hydrolase 1	0.0628	0.4805	0.7465
Echinococcus multilocularis	monoacylglycerol lipase abhd12	0.0025	0.0015	0.0022
Brugia malayi	Amidase family protein	0.0076	0.0416	0.0866
Brugia malayi	Ets-domain containing protein	0.0081	0.0459	0.0955
Giardia lamblia	Phosphoglycerate kinase	0.0191	0.1329	1
Leishmania major	monoglyceride lipase, putative	0.043	0.3229	1
Brugia malayi	amidase	0.0628	0.4805	1
Onchocerca volvulus	Neuropeptide F receptor homolog	0.0024	0.0001	0.5
Loa Loa (eye worm)	neuropeptide F receptor	0.0024	0.0001	0.0001
Trypanosoma cruzi	3-phosphoglycerate kinase, glycosomal	0.007	0.037	0.1147
Trypanosoma brucei	phosphoglycerate kinase, putative	0.007	0.037	0.1147
Schistosoma mansoni	phosphoglycerate kinase	0.0191	0.1329	0.2064
Schistosoma mansoni	ets-related	0.0246	0.1772	0.2751
Loa Loa (eye worm)	hypothetical protein	0.0024	0.0001	0.0001
Trypanosoma cruzi	PAS-domain containing phosphoglycerate kinase, putative	0.007	0.037	0.1147
Mycobacterium leprae	POSSIBLE LYSOPHOSPHOLIPASE	0.043	0.3229	1
Brugia malayi	GnHR receptor homolog	0.0024	0.0001	0.0003
Plasmodium vivax	glutamyl-tRNA(Gln) amidotransferase subunit A, putative	0.0076	0.0416	0.1247
Plasmodium falciparum	lysophospholipase, putative	0.043	0.3229	1
Onchocerca volvulus		0.0024	0.0001	0.5
Brugia malayi	putative neuropeptide receptor NPR1	0.0024	0.0001	0.0003
Brugia malayi	Melatonin receptor type 1A	0.0024	0.0001	0.0003
Loa Loa (eye worm)	hypothetical protein	0.0024	0.0001	0.0001
Loa Loa (eye worm)	follicle stimulating hormone receptor	0.0301	0.2209	0.2209
Loa Loa (eye worm)	hypothetical protein	0.0024	0.0001	0.0001
Trypanosoma cruzi	serine peptidase, putative	0.0025	0.0015	0.0048
Plasmodium vivax	phosphoglycerate kinase, putative	0.0191	0.1329	0.4089
Loa Loa (eye worm)	hypothetical protein	0.0024	0.0001	0.0001
Brugia malayi	gonadotropin-releasing hormone receptor 2	0.0024	0.0001	0.0003
Schistosoma mansoni	family S9 unassigned peptidase (S09 family)	0.0025	0.0015	0.0022
Brugia malayi	AKH receptor	0.0024	0.0001	0.0003
Trichomonas vaginalis	phosphoglycerate kinase, putative	0.0191	0.1329	0.4089
Brugia malayi	hypothetical protein	0.0024	0.0001	0.0003
Loa Loa (eye worm)	hypothetical protein	0.0024	0.0001	0.0001
Plasmodium falciparum	esterase, putative	0.043	0.3229	1
Brugia malayi	Ets-domain containing protein	0.0081	0.0459	0.0955
Leishmania major	hypothetical protein, conserved	0.0076	0.0416	0.1288
Entamoeba histolytica	hydrolase, alpha/beta fold family domain containing protein	0.043	0.3229	1
Loa Loa (eye worm)	hypothetical protein	0.0024	0.0001	0.0001
Onchocerca volvulus		0.0024	0.0001	0.5
Brugia malayi	ORL1-like opioid receptor	0.0024	0.0001	0.0003
Trypanosoma cruzi	monoglyceride lipase, putative	0.043	0.3229	1
Mycobacterium tuberculosis	Probable aldehyde dehydrogenase	0.0073	0.0397	0.1187
Echinococcus granulosus	phosphoglycerate kinase 1	0.0191	0.1329	0.2064
Brugia malayi	G-protein coupled receptor	0.0024	0.0001	0.0003
Loa Loa (eye worm)	TYRA-2 protein	0.0024	0.0001	0.0001
Trichomonas vaginalis	Clan SC, family S33, methylesterase-like serine peptidase	0.043	0.3229	1
Brugia malayi	GTP-binding regulatory protein Gs alpha-S chain, putative	0.0048	0.0193	0.0402
Loa Loa (eye worm)	hypothetical protein	0.0025	0.0015	0.0015
Loa Loa (eye worm)	5-hydroxytryptamine 2C receptor	0.0024	0.0001	0.0001
Onchocerca volvulus		0.0024	0.0001	0.5
Brugia malayi	G protein-coupled receptor F59B2.13	0.0024	0.0001	0.0003
Brugia malayi	hypothetical protein	0.0024	0.0001	0.0003
Echinococcus multilocularis	fatty acid amide hydrolase 1	0.0076	0.0416	0.0644
Loa Loa (eye worm)	hypothetical protein	0.0024	0.0001	0.0001
Mycobacterium ulcerans	aldehyde dehydrogenase	0.0073	0.0397	0.1228
Trypanosoma cruzi	amidase, putative	0.0076	0.0416	0.1288
Leishmania major	PAS-domain containing phosphoglycerate kinase, putative	0.007	0.037	0.1147
Mycobacterium ulcerans	hydrolase	0.0025	0.0015	0.0048
Echinococcus multilocularis	aldehyde dehydrogenase, mitochondrial	0.0073	0.0397	0.0614
Echinococcus granulosus	aldehyde dehydrogenase mitochondrial	0.0073	0.0397	0.0614
Brugia malayi	RE15519p	0.0024	0.0001	0.0003
Onchocerca volvulus		0.0024	0.0001	0.5
Echinococcus granulosus	abhydrolase domain containing protein 13	0.0025	0.0015	0.0022
Onchocerca volvulus		0.0024	0.0001	0.5
Echinococcus multilocularis	fatty acid amide hydrolase 1	0.0628	0.4805	0.7465
Mycobacterium ulcerans	aldehyde dehydrogenase	0.0073	0.0397	0.1228

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-cyp2d6 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-cyp1a2 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-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-cyp2c9 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-cyp2c19 Compounds with AC50 equal or less than 10 uM are considered active	ChEMBL.	No reference
Potency (ADMET)	= 5.0119 um	PUBCHEM_BIOASSAY: qHTS Assay for Activators of Cytochrome P450 3A4. (Class of assay: confirmatory) [Related pubchem assays: 410 ]	ChEMBL.	No reference
Potency (ADMET)	= 5.0119 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)	= 10 um	PUBCHEM_BIOASSAY: qHTS Assay for Agonists of the Thyroid Stimulating Hormone Receptor. (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (functional)	= 10 um	PUBCHEM_BIOASSAY: qHTS Assay for Agonists of the Thyroid Stimulating Hormone Receptor: Activators of Intracellular cAMP Concentrations in Parental HEK 293. (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (functional)	= 25.1189 um	PUBCHEM_BIOASSAY: qHTS Assay for Activators of Human Muscle isoform 2 Pyruvate Kinase. (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (functional)	= 25.1189 um	PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Human Muscle isoform 2 Pyruvate Kinase. (Class of assay: confirmatory) [Related pubchem assays: 1379 ]	ChEMBL.	No reference
Potency (ADMET)	= 25.1189 um	PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors and Substrates of Cytochrome P450 2C9. (Class of assay: confirmatory) [Related pubchem assays: 885, 884, 410 ]	ChEMBL.	No reference
Potency (ADMET)	= 31.6228 um	PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors and Substrates of Cytochrome P450 2C19. (Class of assay: confirmatory) [Related pubchem assays: 410 ]	ChEMBL.	No reference
Potency (binding)	= 31.6228 um	PUBCHEM_BIOASSAY: qHTS for Inhibitors of Tau Fibril Formation, Thioflavin T Binding. (Class of assay: confirmatory) [Related pubchem assays: 596 ]	ChEMBL.	No reference
Potency (functional)	= 50.1187 um	PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Bacillus subtilis Sfp phosphopantetheinyl transferase (PPTase). (Class of assay: confirmatory)	ChEMBL.	No reference

Phenotypes

Whole-cell/tissue/organism interactions

We have no records of whole-cell/tissue assays done with this compound What does this mean?

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: CHEMBL1558885

Bibliographic References

No literature references available for this target.

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Detailed information for compound 1428465