TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 578.629 | Formula: C35H31FN2O5
H donors: 2 H acceptors: 3 LogP: 7.65 Rotable bonds: 9
Rule of 5 violations (Lipinski): 2
SMILES: OC(=O)c1cccc(c1)OCC1CCN(CC1)c1ccc(cc1F)NC(=O)c1oc2c(c1C)cc(cc2)c1ccccc1
InChi: 1S/C35H31FN2O5/c1-22-29-19-25(24-6-3-2-4-7-24)10-13-32(29)43-33(22)34(39)37-27-11-12-31(30(36)20-27)38-16-14-23(15-17-38)21-42-28-9-5-8-26(18-28)35(40)41/h2-13,18-20,23H,14-17,21H2,1H3,(H,37,39)(H,40,41)
InChiKey: LKGAUWHHACZBME-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

No synonyms found for this compound

Targets

Known targets for this compound

Species	Target name	Source	Bibliographic reference
Homo sapiens	diacylglycerol O-acyltransferase 1	Starlite/ChEMBL	References

Predicted pathogen targets for this compound

By orthology

Species	Potential target	Known druggable target/s	Ortholog Group
Loa Loa (eye worm)	hypothetical protein	Get druggable targets OG5_128200	All targets in OG5_128200
Schistosoma japonicum	ko:K00635 diacylglycerol O-acyltransferase [EC2.3.1.20], putative	Get druggable targets OG5_128200	All targets in OG5_128200
Toxoplasma gondii	acyl-CoA:diacylglycerol acyltransferase 1-related enzyme	Get druggable targets OG5_128200	All targets in OG5_128200
Plasmodium berghei	diacylglycerol O-acyltransferase, putative	Get druggable targets OG5_128200	All targets in OG5_128200
Echinococcus granulosus	diacylglycerol O acyltransferase 1	Get druggable targets OG5_128200	All targets in OG5_128200
Toxoplasma gondii	acyl-CoA:cholesterol acyltransferase alpha ACAT1-alpha	Get druggable targets OG5_128200	All targets in OG5_128200
Neospora caninum	sterol O-acyltransferase, putative	Get druggable targets OG5_128200	All targets in OG5_128200
Neospora caninum	diacylglycerol acyltransferase, putative	Get druggable targets OG5_128200	All targets in OG5_128200
Candida albicans	Acyl-CoA cholesterol acyltransferase	Get druggable targets OG5_128200	All targets in OG5_128200
Cryptosporidium hominis	acyl-CoA:diacylglycerol acyltransferase 1-related enzyme	Get druggable targets OG5_128200	All targets in OG5_128200
Plasmodium knowlesi	diacylglycerol O-acyltransferase, putative	Get druggable targets OG5_128200	All targets in OG5_128200
Theileria parva	diacylglycerol O-acyltransferase, putative	Get druggable targets OG5_128200	All targets in OG5_128200
Loa Loa (eye worm)	diacylglycerol acyltransferase	Get druggable targets OG5_128200	All targets in OG5_128200
Candida albicans	Acyl-CoA cholesterol acyltransferase	Get druggable targets OG5_128200	All targets in OG5_128200
Plasmodium vivax	diacylglycerol O-acyltransferase, putative	Get druggable targets OG5_128200	All targets in OG5_128200
Schistosoma mansoni	diacylglycerol O-acyltransferase 1	Get druggable targets OG5_128200	All targets in OG5_128200
Brugia malayi	diacylglycerol acyltransferase	Get druggable targets OG5_128200	All targets in OG5_128200
Plasmodium falciparum	diacylglycerol O-acyltransferase	Get druggable targets OG5_128200	All targets in OG5_128200
Schistosoma japonicum	Diacylglycerol O-acyltransferase 1, putative	Get druggable targets OG5_128200	All targets in OG5_128200
Plasmodium yoelii	acyl transferase-related	Get druggable targets OG5_128200	All targets in OG5_128200
Cryptosporidium parvum	diacylglycerol acyltransferase 1	Get druggable targets OG5_128200	All targets in OG5_128200
Babesia bovis	diacylglycerol acyltransferase, putative	Get druggable targets OG5_128200	All targets in OG5_128200
Schistosoma japonicum	Diacylglycerol O-acyltransferase 1, putative	Get druggable targets OG5_128200	All targets in OG5_128200
Echinococcus multilocularis	diacylglycerol O acyltransferase 1	Get druggable targets OG5_128200	All targets in OG5_128200

By sequence similarity to non orthologous known druggable targets

No druggable targets predicted by sequence similarity

Ranking Plot

Putative Targets List

Species	Potential target	Raw	Global	Species
Trichomonas vaginalis	conserved hypothetical protein	0.0107	0.0369	1
Loa Loa (eye worm)	hypothetical protein	0.0037	0.0025	0.0016
Loa Loa (eye worm)	inositol-1	0.0036	0.0019	0.001
Mycobacterium tuberculosis	Probable reductase	0.0106	0.0365	0.3549
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0093	0.0301	0.4215
Loa Loa (eye worm)	hypothetical protein	0.005	0.0088	0.0079
Loa Loa (eye worm)	hypothetical protein	0.0107	0.0369	0.036
Schistosoma mansoni	ets-related	0.0216	0.091	1
Echinococcus granulosus	GA binding protein alpha chain	0.0071	0.0192	0.258
Brugia malayi	Corticotropin releasing factor receptor 2 precursor, putative	0.005	0.0088	0.0079
Schistosoma mansoni	ap endonuclease	0.0056	0.0116	0.1181
Trypanosoma brucei	ceramide phosphorylethanolamine synthase	0.0107	0.0369	1
Mycobacterium leprae	conserved hypothetical protein	0.0037	0.0025	0.0587
Schistosoma mansoni	inositol monophosphatase	0.0036	0.0019	0.0107
Mycobacterium tuberculosis	Probable esterase LipL	0.0037	0.0025	0.0242
Toxoplasma gondii	exonuclease III APE	0.0056	0.0116	0.1664
Plasmodium vivax	diacylglycerol O-acyltransferase, putative	0.0153	0.0601	1
Loa Loa (eye worm)	hypothetical protein	0.0107	0.0369	0.036
Plasmodium vivax	thioredoxin reductase, putative	0.0046	0.0069	0.0773
Trichomonas vaginalis	esterase, putative	0.0037	0.0025	0.0172
Leishmania major	apurinic/apyrimidinic endonuclease-redox protein	0.0056	0.0116	0.2767
Loa Loa (eye worm)	hypothetical protein	0.0037	0.0025	0.0016
Onchocerca volvulus	Huntingtin homolog	0.012	0.0437	1
Echinococcus multilocularis	DNA (apurinic or apyrimidinic site) lyase	0.0056	0.0116	0.1447
Plasmodium falciparum	diacylglycerol O-acyltransferase	0.0153	0.0601	1
Loa Loa (eye worm)	hypothetical protein	0.0061	0.014	0.0131
Mycobacterium tuberculosis	Probable lipase LipD	0.0037	0.0025	0.0242
Loa Loa (eye worm)	diacylglycerol acyltransferase	0.0153	0.0601	0.0592
Mycobacterium tuberculosis	Dihydrolipoamide dehydrogenase LpdC (lipoamide reductase (NADH)) (lipoyl dehydrogenase) (dihydrolipoyl dehydrogenase) (diaphoras	0.0118	0.0424	0.412
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0093	0.0301	0.3236
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0093	0.0301	0.4215
Entamoeba histolytica	hypothetical membrane-spanning protein	0.0107	0.0369	1
Schistosoma mansoni	diacylglycerol O-acyltransferase 1	0.0153	0.0601	0.6566
Mycobacterium tuberculosis	Probable hydrolase	0.0037	0.0025	0.0242
Trypanosoma brucei	hypothetical protein, conserved	0.0037	0.0025	0.0172
Loa Loa (eye worm)	pigment dispersing factor receptor c	0.005	0.0088	0.0079
Leishmania major	phosphatidylcholine:ceramide cholinephosphotransferase 2	0.0107	0.0369	1
Mycobacterium tuberculosis	Probable dehydrogenase	0.0106	0.0365	0.3549
Mycobacterium ulcerans	fusion of enoyl-CoA hydratase, EchA21 and lipase, LipE	0.0037	0.0025	0.062
Mycobacterium tuberculosis	Probable conserved lipoprotein	0.0037	0.0025	0.0242
Loa Loa (eye worm)	beta-LACTamase domain containing family member	0.0037	0.0025	0.0016
Entamoeba histolytica	hypothetical protein	0.0038	0.0027	0.0224
Entamoeba histolytica	hypothetical protein	0.0038	0.0027	0.0224
Echinococcus granulosus	geminin	0.0171	0.0688	1
Schistosoma mansoni	hypothetical protein	0.0171	0.0688	0.7531
Entamoeba histolytica	hypothetical protein	0.0038	0.0027	0.0224
Brugia malayi	beta-lactamase family protein	0.0037	0.0025	0.0016
Leishmania major	hypothetical protein, conserved	0.0037	0.0025	0.0172
Brugia malayi	beta-lactamase	0.0037	0.0025	0.0016
Brugia malayi	GTP-binding regulatory protein Gs alpha-S chain, putative	0.0093	0.0301	0.0292
Loa Loa (eye worm)	hypothetical protein	0.0037	0.0025	0.0016
Toxoplasma gondii	ABC1 family protein	0.0037	0.0025	0.0103
Onchocerca volvulus	Huntingtin homolog	0.012	0.0437	1
Mycobacterium tuberculosis	Probable NADH dehydrogenase Ndh	0.0106	0.0365	0.3549
Mycobacterium tuberculosis	Possible conserved lipoprotein LpqK	0.0037	0.0025	0.0242
Brugia malayi	diacylglycerol acyltransferase	0.0153	0.0601	0.0592
Plasmodium falciparum	AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative	0.0056	0.0116	0.0871
Schistosoma mansoni	family S12 unassigned peptidase (S12 family)	0.0037	0.0025	0.0173
Schistosoma mansoni	spingomyelin synthetase-related	0.0107	0.0369	0.399
Mycobacterium tuberculosis	Conserved protein	0.0037	0.0025	0.0242
Schistosoma mansoni	transcription factor LCR-F1	0.0038	0.0027	0.0194
Brugia malayi	hypothetical protein	0.012	0.0437	0.0428
Trypanosoma brucei	sphingomyelin/ceramide phosphorylethanolamine synthase, bifunctional	0.0107	0.0369	1
Mycobacterium ulcerans	esterase/lipase LipP	0.0037	0.0025	0.062
Echinococcus granulosus	beta LACTamase domain containing family member	0.0037	0.0025	0.009
Echinococcus granulosus	Basic leucine zipper bZIP transcription	0.0038	0.0027	0.0117
Brugia malayi	Calcitonin receptor-like protein seb-1	0.005	0.0088	0.0079
Trypanosoma cruzi	trypanothione reductase, putative	0.0046	0.0069	0.1445
Brugia malayi	Phosphatidylcholine:ceramide cholinephosphotransferase 3	0.0107	0.0369	0.036
Loa Loa (eye worm)	hypothetical protein	0.012	0.0437	0.0428
Treponema pallidum	exodeoxyribonuclease (exoA)	0.0056	0.0116	0.5
Loa Loa (eye worm)	hypothetical protein	0.0107	0.0369	0.036
Plasmodium vivax	AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative	0.0056	0.0116	0.1577
Echinococcus granulosus	sphingomyelin synthase protein 1	0.0107	0.0369	0.5231
Mycobacterium tuberculosis	Probable nitrite reductase [NAD(P)H] large subunit [FAD flavoprotein] NirB	0.0106	0.0365	0.3549
Echinococcus multilocularis	Basic leucine zipper (bZIP) transcription	0.0038	0.0027	0.0117
Loa Loa (eye worm)	D-ets-4 DNA binding domain-containing protein	0.0071	0.0192	0.0182
Brugia malayi	Phosphatidylcholine:ceramide cholinephosphotransferase 2	0.0107	0.0369	0.036
Loa Loa (eye worm)	hypothetical protein	0.0107	0.0369	0.036
Trypanosoma cruzi	hypothetical protein, conserved	0.0037	0.0025	0.0172
Loa Loa (eye worm)	hypothetical protein	0.0037	0.0025	0.0016
Plasmodium falciparum	sphingomyelin synthase 1, putative	0.0107	0.0369	0.5633
Brugia malayi	Inositol-1	0.0036	0.0019	0.001
Echinococcus granulosus	thioredoxin glutathione reductase	0.0046	0.0069	0.0756
Mycobacterium tuberculosis	Probable membrane NADH dehydrogenase NdhA	0.0106	0.0365	0.3549
Brugia malayi	glutathione reductase	0.0046	0.0069	0.006
Brugia malayi	beta-lactamase family protein	0.0037	0.0025	0.0016
Plasmodium vivax	sphingomyelin synthase 2, putative	0.0107	0.0369	0.5971
Entamoeba histolytica	hypothetical protein	0.0107	0.0369	1
Brugia malayi	Ets-domain containing protein	0.0071	0.0192	0.0182
Brugia malayi	Sphingomyelin synthase-related 1	0.0107	0.0369	0.036
Wolbachia endosymbiont of Brugia malayi	exonuclease III	0.0056	0.0116	1
Loa Loa (eye worm)	exodeoxyribonuclease III family protein	0.0056	0.0116	0.0107
Loa Loa (eye worm)	GTP-binding regulatory protein Gs alpha-S chain	0.0093	0.0301	0.0292
Mycobacterium ulcerans	exodeoxyribonuclease III protein XthA	0.0056	0.0116	1
Mycobacterium ulcerans	lipase LipD	0.0037	0.0025	0.062
Mycobacterium leprae	Probable lipase LipE	0.0037	0.0025	0.0587
Echinococcus multilocularis	diacylglycerol O acyltransferase 1	0.0153	0.0601	0.87
Trypanosoma cruzi	sphingomyelin/ceramide phosphorylethanolamine synthase, bifunctional	0.0107	0.0369	1
Entamoeba histolytica	hypothetical protein	0.0107	0.0369	1
Trichomonas vaginalis	D-aminoacylase, putative	0.0037	0.0025	0.0172
Entamoeba histolytica	hypothetical protein	0.0107	0.0369	1
Trichomonas vaginalis	penicillin-binding protein, putative	0.0037	0.0025	0.0172
Trichomonas vaginalis	D-aminoacylase, putative	0.0037	0.0025	0.0172
Mycobacterium leprae	DIHYDROLIPOAMIDE DEHYDROGENASE LPD (LIPOAMIDE REDUCTASE (NADH)) (LIPOYL DEHYDROGENASE) (DIHYDROLIPOYL DEHYDROGENASE) (DIAPHORASE	0.0118	0.0424	1
Giardia lamblia	Endonuclease/Exonuclease/phosphatase	0.0056	0.0116	0.5
Trichomonas vaginalis	sphingomyelin synthetase, putative	0.0107	0.0369	1
Loa Loa (eye worm)	hypothetical protein	0.0037	0.0025	0.0016
Trypanosoma brucei	inositol phosphorylceramide synthase	0.0107	0.0369	1
Trichomonas vaginalis	ap endonuclease, putative	0.0056	0.0116	0.2767
Plasmodium falciparum	sphingomyelin synthase 1, putative	0.0107	0.0369	0.5633
Echinococcus multilocularis	geminin	0.0171	0.0688	1
Toxoplasma gondii	acyl-CoA:cholesterol acyltransferase alpha ACAT1-alpha	0.0153	0.0601	1
Trypanosoma cruzi	sphingomyelin/ceramide phosphorylethanolamine synthase, bifunctional	0.0107	0.0369	1
Trypanosoma brucei	sphingomyelin/ceramide phosphorylethanolamine synthase, bifunctional	0.0107	0.0369	1
Mycobacterium tuberculosis	Possible penicillin-binding protein	0.024	0.103	1
Schistosoma mansoni	hypothetical protein	0.0171	0.0688	0.7531
Trypanosoma brucei	trypanothione reductase	0.0046	0.0069	0.1445
Schistosoma mansoni	hypothetical protein	0.0038	0.0027	0.0194
Echinococcus multilocularis	sphingomyelin synthase protein 1	0.0107	0.0369	0.5231
Echinococcus granulosus	DNA apurinic or apyrimidinic site lyase	0.0056	0.0116	0.1447
Trichomonas vaginalis	sphingomyelin synthetase, putative	0.0107	0.0369	1
Mycobacterium tuberculosis	NAD(P)H quinone reductase LpdA	0.0118	0.0424	0.412
Plasmodium vivax	sphingomyelin synthase 1, putative	0.0107	0.0369	0.5971
Plasmodium vivax	glutathione reductase, putative	0.0046	0.0069	0.0773
Leishmania major	trypanothione reductase	0.0046	0.0069	0.1445
Trypanosoma cruzi	hypothetical protein, conserved	0.0037	0.0025	0.0172
Schistosoma mansoni	family S12 unassigned peptidase (S12 family)	0.0037	0.0025	0.0173
Plasmodium falciparum	sphingomyelin synthase 2, putative	0.0107	0.0369	0.5633
Trypanosoma cruzi	apurinic/apyrimidinic endonuclease, putative	0.0056	0.0116	0.2767
Loa Loa (eye worm)	hypothetical protein	0.0107	0.0369	0.036
Brugia malayi	Phosphatidylcholine:ceramide cholinephosphotransferase 1	0.0107	0.0369	0.036
Mycobacterium leprae	PROBABLE NADH DEHYDROGENASE NDH	0.0106	0.0365	0.8614
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0093	0.0301	0.4215
Brugia malayi	Fli-1 protein	0.0216	0.091	0.0902
Echinococcus granulosus	diacylglycerol O acyltransferase 1	0.0153	0.0601	0.87
Trichomonas vaginalis	ap endonuclease, putative	0.0056	0.0116	0.2767
Loa Loa (eye worm)	fli-1 protein	0.0216	0.091	0.0902
Trichomonas vaginalis	sphingomyelin synthetase, putative	0.0107	0.0369	1
Brugia malayi	Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative	0.0037	0.0025	0.0016
Brugia malayi	Thioredoxin reductase	0.0046	0.0069	0.006
Loa Loa (eye worm)	hypothetical protein	0.012	0.0437	0.0428
Loa Loa (eye worm)	hypothetical protein	0.0037	0.0025	0.0016
Brugia malayi	exodeoxyribonuclease III family protein	0.0056	0.0116	0.0107
Schistosoma mansoni	gabp alpha	0.0071	0.0192	0.2022
Schistosoma mansoni	ap endonuclease	0.0056	0.0116	0.1181
Mycobacterium tuberculosis	Probable exodeoxyribonuclease III protein XthA (exonuclease III) (EXO III) (AP endonuclease VI)	0.0056	0.0116	0.1124
Echinococcus multilocularis	GA binding protein alpha chain	0.0071	0.0192	0.258
Brugia malayi	Ets-domain containing protein	0.0071	0.0192	0.0182
Mycobacterium tuberculosis	Conserved protein	0.0037	0.0025	0.0242
Loa Loa (eye worm)	hypothetical protein	0.0128	0.0473	0.0464
Loa Loa (eye worm)	hypothetical protein	0.2044	1	1
Loa Loa (eye worm)	thioredoxin reductase	0.0046	0.0069	0.006
Brugia malayi	hypothetical protein	0.0038	0.0027	0.0017
Toxoplasma gondii	thioredoxin reductase	0.0046	0.0069	0.0869
Mycobacterium tuberculosis	NADPH-dependent mycothiol reductase Mtr	0.0046	0.0069	0.0675
Mycobacterium ulcerans	hypothetical protein	0.0037	0.0025	0.062
Mycobacterium tuberculosis	Probable lipase LipE	0.0037	0.0025	0.0242
Loa Loa (eye worm)	glutathione reductase	0.0046	0.0069	0.006
Toxoplasma gondii	hypothetical protein	0.0107	0.0369	0.6013
Mycobacterium tuberculosis	Conserved protein	0.0037	0.0025	0.0242
Echinococcus multilocularis	thioredoxin glutathione reductase	0.0046	0.0069	0.0756
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0093	0.0301	0.4215
Echinococcus multilocularis	beta LACTamase domain containing family member	0.0037	0.0025	0.009
Entamoeba histolytica	hypothetical protein	0.0038	0.0027	0.0224
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0093	0.0301	0.3236
Mycobacterium ulcerans	beta-lactamase	0.0037	0.0025	0.062
Trichomonas vaginalis	penicillin-binding protein, putative	0.0037	0.0025	0.0172
Brugia malayi	Phosphatidylcholine:ceramide cholinephosphotransferase 2	0.0107	0.0369	0.036
Loa Loa (eye worm)	beta-lactamase	0.0037	0.0025	0.0016
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0093	0.0301	0.3236
Schistosoma mansoni	inositol monophosphatase	0.0036	0.0019	0.0107
Trichomonas vaginalis	sphingomyelin synthetase, putative	0.0107	0.0369	1
Mycobacterium tuberculosis	Probable esterase/lipase LipP	0.0037	0.0025	0.0242
Trypanosoma cruzi	apurinic/apyrimidinic endonuclease	0.0056	0.0116	0.2767
Trichomonas vaginalis	hypothetical protein	0.0107	0.0369	1
Entamoeba histolytica	hypothetical protein	0.0107	0.0369	1
Entamoeba histolytica	hypothetical protein	0.0107	0.0369	1
Trichomonas vaginalis	D-aminoacylase, putative	0.0037	0.0025	0.0172
Mycobacterium tuberculosis	Putative ferredoxin reductase	0.0106	0.0365	0.3549
Trypanosoma brucei	apurinic/apyrimidinic endonuclease, putative	0.0056	0.0116	0.2767
Toxoplasma gondii	acyl-CoA:diacylglycerol acyltransferase 1-related enzyme	0.0153	0.0601	1
Mycobacterium tuberculosis	Probable oxidoreductase	0.0118	0.0424	0.412
Entamoeba histolytica	exodeoxyribonuclease III, putative	0.0056	0.0116	0.2767

Activities

Activity type	Activity value	Assay description	Source	Reference
IC50 (binding)	= 482 nM	Inhibition of human DGAT1 expressed in Sf9 cells using 1,2-dioleoyl-sn-glycerol and [14C]-palmitoyl-Co A substrates incubated for 2 hrs by scintillation counting method	ChEMBL.	23317570

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: CHEMBL2334074

Bibliographic References

1 literature reference was collected for this gene.

If you have references for this compound, please enter them in a user comment (below) or Contact us.

Detailed information for compound 1731004