TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 295.763 | Formula: C18H14ClNO
H donors: 0 H acceptors: 0 LogP: 5.07 Rotable bonds: 3
Rule of 5 violations (Lipinski): 1
SMILES: COc1ccc(c2c1cccc2)C=Nc1ccc(cc1)Cl
InChi: 1S/C18H14ClNO/c1-21-18-11-6-13(16-4-2-3-5-17(16)18)12-20-15-9-7-14(19)8-10-15/h2-12H,1H3/b20-12+
InChiKey: LHKADBYNTJOFAX-UDWIEESQSA-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

No curated genes were found associated with this compound

Predicted pathogen targets for this compound

By orthology

No druggable targets predicted by orthology data

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
Mycobacterium leprae	PROBABLE NADH DEHYDROGENASE NDH	0.0123	0.3132	0.8622
Mycobacterium ulcerans	fatty-acid-CoA ligase	0.0095	0.2206	0.6421
Trichomonas vaginalis	antibiotic synthetase, putative	0.0037	0.034	0.5
Leishmania major	4-coumarate:coa ligase-like protein	0.0127	0.3246	1
Mycobacterium tuberculosis	P-hydroxybenzoyl-AMP ligase FadD22	0.0037	0.034	0.0493
Onchocerca volvulus		0.0049	0.0723	0.1823
Brugia malayi	latrophilin 2 splice variant baaae	0.0067	0.1319	0.1856
Echinococcus multilocularis	thyroid hormone receptor alpha	0.0149	0.3966	0.3966
Mycobacterium tuberculosis	Probable fatty-acid-CoA ligase FadD8 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase)	0.0037	0.034	0.0493
Mycobacterium ulcerans	long-chain-fatty-acid-CoA ligase	0.0127	0.3246	1
Mycobacterium tuberculosis	Peptide synthetase MbtE (peptide synthase)	0.0037	0.034	0.0493
Mycobacterium tuberculosis	Fatty-acid-AMP ligase FadD30 (fatty-acid-AMP synthetase) (fatty-acid-AMP synthase)	0.0095	0.2206	0.597
Loa Loa (eye worm)	pigment dispersing factor receptor c	0.0099	0.2331	0.328
Loa Loa (eye worm)	hypothetical protein	0.0127	0.3246	0.4566
Schistosoma mansoni	hypothetical protein	0.0031	0.0145	0.0235
Mycobacterium tuberculosis	Probable fatty-acid-CoA ligase FadD3 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase)	0.009	0.2038	0.5477
Echinococcus multilocularis	Basic leucine zipper (bZIP) transcription	0.0036	0.0284	0.0284
Leishmania major	4-coumarate:coa ligase-like protein	0.0127	0.3246	1
Mycobacterium tuberculosis	Probable fatty-acid-CoA ligase FadD5 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase)	0.009	0.2038	0.5477
Trypanosoma brucei	trypanothione reductase	0.0054	0.0886	0.4401
Echinococcus multilocularis	Mitotic checkpoint protein PRCC, C terminal	0.0129	0.3308	0.3308
Schistosoma mansoni	ets-related	0.0217	0.6168	1
Brugia malayi	AMP-binding enzyme family protein	0.0037	0.034	0.0479
Echinococcus granulosus	tyrosyl DNA phosphodiesterase 1	0.0076	0.158	0.158
Loa Loa (eye worm)	tyrosyl-DNA phosphodiesterase	0.0076	0.158	0.2224
Schistosoma mansoni	hypothetical protein	0.0031	0.0145	0.0235
Echinococcus multilocularis	geminin	0.0167	0.4555	0.4555
Loa Loa (eye worm)	hypothetical protein	0.0037	0.034	0.0479
Brugia malayi	AMP-binding enzyme family protein	0.0037	0.034	0.0479
Brugia malayi	hypothetical protein	0.0149	0.3968	0.5583
Mycobacterium tuberculosis	Putative ferredoxin reductase	0.0123	0.3132	0.869
Mycobacterium ulcerans	short-chain type dehydrogenase/reductase	0.0066	0.1262	0.3174
Mycobacterium tuberculosis	Possible fatty-acid-CoA ligase FadD1 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase)	0.0037	0.034	0.0493
Mycobacterium tuberculosis	Bifunctional enzyme MbtA: salicyl-AMP ligase (SAL-AMP ligase) + salicyl-S-ArCP synthetase	0.0037	0.034	0.0493
Brugia malayi	RNA binding protein	0.0067	0.1314	0.1848
Mycobacterium tuberculosis	Probable fatty-acid-CoA ligase FadD2 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase)	0.0127	0.3246	0.9023
Echinococcus granulosus	cadherin EGF LAG seven pass G type receptor	0.0031	0.0145	0.0145
Schistosoma mansoni	tar DNA-binding protein	0.0067	0.1314	0.213
Echinococcus multilocularis	cadherin EGF LAG seven pass G type receptor	0.0031	0.0145	0.0145
Mycobacterium tuberculosis	Probable NADH dehydrogenase Ndh	0.0123	0.3132	0.869
Loa Loa (eye worm)	hypothetical protein	0.0095	0.2206	0.3104
Trypanosoma brucei	tyrosyl-DNA Phosphodiesterase (Tdp1), putative	0.0076	0.158	1
Loa Loa (eye worm)	hypothetical protein	0.0127	0.3246	0.4566
Plasmodium falciparum	glutathione reductase	0.0054	0.0886	0.2925
Loa Loa (eye worm)	hypothetical protein	0.0127	0.3246	0.4566
Loa Loa (eye worm)	hypothetical protein	0.0049	0.0723	0.1018
Echinococcus multilocularis	tar DNA binding protein	0.0067	0.1314	0.1314
Trypanosoma cruzi	tyrosyl-DNA Phosphodiesterase (Tdp1), putative	0.0076	0.158	1
Plasmodium falciparum	acyl-CoA synthetase	0.0095	0.2206	1
Echinococcus granulosus	acetyl coenzyme A synthetase cytoplasmic	0.0037	0.034	0.034
Mycobacterium ulcerans	hypothetical protein	0.0127	0.3246	1
Schistosoma mansoni	tar DNA-binding protein	0.0067	0.1314	0.213
Brugia malayi	glutathione reductase	0.0054	0.0886	0.1247
Schistosoma mansoni	hypothetical protein	0.0031	0.0145	0.0235
Mycobacterium tuberculosis	Probable chain -fatty-acid-CoA ligase FadD13 (fatty-acyl-CoA synthetase)	0.0127	0.3246	0.9023
Entamoeba histolytica	long-chain-fatty-acid--CoA ligase, putative	0.0037	0.034	0.019
Mycobacterium leprae	PROBABLE FATTY-ACID-CoA LIGASE FADD2 (FATTY-ACID-CoA SYNTHETASE) (FATTY-ACID-CoA SYNTHASE)	0.0127	0.3246	0.8972
Leishmania major	trypanothione reductase	0.0054	0.0886	0.1878
Loa Loa (eye worm)	RNA recognition domain-containing protein domain-containing protein	0.0067	0.1314	0.1848
Loa Loa (eye worm)	TAR-binding protein	0.0067	0.1314	0.1848
Mycobacterium tuberculosis	Phenyloxazoline synthase MbtB (phenyloxazoline synthetase)	0.0037	0.034	0.0493
Entamoeba histolytica	acyl-CoA synthetase, putative	0.0127	0.3246	1
Echinococcus granulosus	3 hydroxyacyl coenzyme A dehydrogenase type 2	0.0066	0.1262	0.1262
Schistosoma mansoni	cellular tumor antigen P53	0.0049	0.0723	0.1173
Leishmania major	3-oxoacyl-(acyl-carrier protein) reductase, putative	0.0066	0.1262	0.3174
Loa Loa (eye worm)	hypothetical protein	0.0037	0.034	0.0479
Brugia malayi	Ets-domain containing protein	0.0071	0.145	0.204
Loa Loa (eye worm)	fli-1 protein	0.0217	0.6168	0.8678
Onchocerca volvulus		0.0037	0.034	0.0857
Onchocerca volvulus		0.0127	0.3246	0.8179
Schistosoma mansoni	hypothetical protein	0.0067	0.1319	0.2139
Plasmodium vivax	acyl-CoA synthetase, putative	0.0095	0.2206	1
Mycobacterium ulcerans	long-chain-fatty-acid--CoA ligase	0.0127	0.3246	1
Entamoeba histolytica	acyl-coA synthetase, putative	0.0127	0.3246	1
Trypanosoma cruzi	trypanothione reductase, putative	0.0054	0.0886	0.4401
Schistosoma mansoni	hypothetical protein	0.0036	0.0284	0.046
Mycobacterium tuberculosis	Probable fatty-acid-CoA ligase FadD35 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase)	0.009	0.2038	0.5477
Schistosoma mansoni	gabp alpha	0.0071	0.145	0.2351
Schistosoma mansoni	hypothetical protein	0.0167	0.4555	0.7385
Plasmodium falciparum	thioredoxin reductase	0.0054	0.0886	0.2925
Brugia malayi	AMP-binding enzyme family protein	0.0127	0.3246	0.4566
Mycobacterium tuberculosis	Probable nitrite reductase [NAD(P)H] large subunit [FAD flavoprotein] NirB	0.0123	0.3132	0.869
Onchocerca volvulus		0.0149	0.3968	1
Echinococcus multilocularis	thioredoxin glutathione reductase	0.0054	0.0886	0.0886
Mycobacterium tuberculosis	Fatty-acid-CoA synthetase FadD17 (fatty-acid-CoA synthase) (fatty-acid-CoA ligase)	0.0037	0.034	0.0493
Brugia malayi	AMP-binding enzyme family protein	0.0037	0.034	0.0479
Mycobacterium ulcerans	acyl-CoA synthetase	0.0127	0.3246	1
Schistosoma mansoni	tar DNA-binding protein	0.0067	0.1314	0.213
Mycobacterium tuberculosis	Probable oxidoreductase	0.0137	0.3578	1
Brugia malayi	hypothetical protein	0.0036	0.0284	0.0399
Mycobacterium tuberculosis	Peptide synthetase MbtF (peptide synthase)	0.0037	0.034	0.0493
Trypanosoma cruzi	tyrosyl-DNA Phosphodiesterase (Tdp1), putative	0.0076	0.158	1
Echinococcus multilocularis	tyrosyl DNA phosphodiesterase 1	0.0076	0.158	0.158
Echinococcus multilocularis	diuretic hormone 44 receptor GPRdih2	0.0031	0.0145	0.0145
Mycobacterium tuberculosis	Probable reductase	0.0123	0.3132	0.869
Schistosoma mansoni	hypothetical protein	0.0167	0.4555	0.7385
Mycobacterium tuberculosis	Probable fatty-acid-CoA ligase FadD7 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase)	0.009	0.2038	0.5477
Mycobacterium leprae	DIHYDROLIPOAMIDE DEHYDROGENASE LPD (LIPOAMIDE REDUCTASE (NADH)) (LIPOYL DEHYDROGENASE) (DIHYDROLIPOYL DEHYDROGENASE) (DIAPHORASE	0.0137	0.3578	1
Brugia malayi	AMP-binding enzyme family protein	0.0127	0.3246	0.4566
Mycobacterium ulcerans	short-chain type dehydrogenase/reductase	0.0066	0.1262	0.3174
Loa Loa (eye worm)	hypothetical protein	0.0095	0.2206	0.3104
Echinococcus granulosus	tar DNA binding protein	0.0067	0.1314	0.1314
Leishmania major	4-coumarate:coa ligase-like protein	0.0127	0.3246	1
Loa Loa (eye worm)	hypothetical protein	0.0095	0.2206	0.3104
Loa Loa (eye worm)	AMP-binding enzyme family protein	0.0037	0.034	0.0479
Plasmodium vivax	glutathione reductase, putative	0.0054	0.0886	0.2925
Brugia malayi	Tyrosyl-DNA phosphodiesterase family protein	0.0076	0.158	0.2224
Echinococcus multilocularis	3 hydroxyacyl coenzyme A dehydrogenase type 2	0.0066	0.1262	0.1262
Leishmania major	tyrosyl-DNA phosphodiesterase 1	0.0076	0.158	0.4269
Loa Loa (eye worm)	3-hydroxyacyl-CoA dehydrogenase type II	0.0057	0.0991	0.1394
Trichomonas vaginalis	antibiotic synthetase, putative	0.0037	0.034	0.5
Echinococcus multilocularis	GPCR, family 2	0.0031	0.0145	0.0145
Mycobacterium tuberculosis	NAD(P)H quinone reductase LpdA	0.0137	0.3578	1
Brugia malayi	Corticotropin releasing factor receptor 2 precursor, putative	0.0099	0.2331	0.328
Entamoeba histolytica	tyrosyl-DNA phosphodiesterase, putative	0.0076	0.158	0.4378
Onchocerca volvulus		0.0046	0.0612	0.1542
Mycobacterium tuberculosis	Probable medium chain fatty-acid-CoA ligase FadD14 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase)	0.0037	0.034	0.0493
Loa Loa (eye worm)	AMP-binding enzyme family protein	0.0037	0.034	0.0479
Mycobacterium ulcerans	long-chain fatty-acid CoA ligase	0.0127	0.3246	1
Schistosoma mansoni	tar DNA-binding protein	0.0067	0.1314	0.213
Loa Loa (eye worm)	hypothetical protein	0.0031	0.0145	0.0204
Loa Loa (eye worm)	oxidoreductase	0.0037	0.034	0.0479
Loa Loa (eye worm)	latrophilin receptor protein 2	0.0031	0.0145	0.0204
Loa Loa (eye worm)	hypothetical protein	0.0095	0.2206	0.3104
Mycobacterium ulcerans	fatty-acid-CoA ligase	0.0127	0.3246	1
Schistosoma mansoni	acetyl-CoA synthetase	0.0037	0.034	0.0552
Schistosoma mansoni	tyrosyl-DNA phosphodiesterase	0.0076	0.158	0.2562
Echinococcus multilocularis	transcription factor Dp 1	0.0044	0.055	0.055
Echinococcus granulosus	GA binding protein alpha chain	0.0071	0.145	0.145
Mycobacterium tuberculosis	Probable dehydrogenase	0.0123	0.3132	0.869
Loa Loa (eye worm)	hypothetical protein	0.0149	0.3968	0.5583
Loa Loa (eye worm)	thioredoxin reductase	0.0054	0.0886	0.1247
Brugia malayi	AMP-binding enzyme family protein	0.0127	0.3246	0.4566
Toxoplasma gondii	thioredoxin reductase	0.0054	0.0886	1
Echinococcus granulosus	GPCR family 2	0.0031	0.0145	0.0145
Brugia malayi	Fli-1 protein	0.0217	0.6168	0.8678
Echinococcus granulosus	Basic leucine zipper bZIP transcription	0.0036	0.0284	0.0284
Loa Loa (eye worm)	hypothetical protein	0.0061	0.1114	0.1567
Brugia malayi	AMP-binding enzyme family protein	0.0037	0.034	0.0479
Brugia malayi	Calcitonin receptor-like protein seb-1	0.0099	0.2331	0.328
Mycobacterium tuberculosis	NADPH-dependent mycothiol reductase Mtr	0.0054	0.0886	0.2095
Mycobacterium tuberculosis	Dihydrolipoamide dehydrogenase LpdC (lipoamide reductase (NADH)) (lipoyl dehydrogenase) (dihydrolipoyl dehydrogenase) (diaphoras	0.0137	0.3578	1
Schistosoma mansoni	3-hydroxyacyl-CoA dehydrogenase	0.0066	0.1262	0.2047
Schistosoma mansoni	thyroid hormone receptor	0.0149	0.3966	0.6431
Echinococcus granulosus	geminin	0.0167	0.4555	0.4555
Echinococcus multilocularis	GA binding protein alpha chain	0.0071	0.145	0.145
Entamoeba histolytica	acyl-CoA synthetase, putative	0.0127	0.3246	1
Brugia malayi	Ets-domain containing protein	0.0071	0.145	0.204
Brugia malayi	oxidoreductase, short chain dehydrogenase/reductase family protein	0.0037	0.034	0.0479
Loa Loa (eye worm)	hypothetical protein	0.0095	0.2206	0.3104
Echinococcus granulosus	thioredoxin glutathione reductase	0.0054	0.0886	0.0886
Mycobacterium tuberculosis	Possible fatty-acid-CoA ligase FadD10 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase)	0.0037	0.034	0.0493
Plasmodium vivax	thioredoxin reductase, putative	0.0054	0.0886	0.2925
Loa Loa (eye worm)	hypothetical protein	0.0067	0.1319	0.1856
Mycobacterium tuberculosis	Probable membrane NADH dehydrogenase NdhA	0.0123	0.3132	0.869
Loa Loa (eye worm)	glutathione reductase	0.0054	0.0886	0.1247
Loa Loa (eye worm)	follicle stimulating hormone receptor	0.0246	0.7107	1
Brugia malayi	Thioredoxin reductase	0.0054	0.0886	0.1247
Brugia malayi	RNA recognition motif domain containing protein	0.0067	0.1314	0.1848
Brugia malayi	Latrophilin receptor protein 2	0.0031	0.0145	0.0204
Echinococcus multilocularis	tumor protein p63	0.0335	1	1
Onchocerca volvulus		0.0037	0.034	0.0857
Brugia malayi	TAR-binding protein	0.0067	0.1314	0.1848
Schistosoma mansoni	hypothetical protein	0.0129	0.3308	0.5363
Echinococcus granulosus	transcription factor Dp 1	0.0044	0.055	0.055
Brugia malayi	acetyl-Coenzyme A synthetase 2	0.0037	0.034	0.0479
Brugia malayi	calcium-independent alpha-latrotoxin receptor 2, putative	0.0031	0.0145	0.0204
Schistosoma mansoni	tar DNA-binding protein	0.0067	0.1314	0.213
Mycobacterium tuberculosis	Probable short-chain type dehydrogenase/reductase	0.0066	0.1262	0.32
Loa Loa (eye worm)	RNA binding protein	0.0067	0.1314	0.1848
Chlamydia trachomatis	acylglycerophosphoethanolamine acyltransferase	0.0095	0.2206	0.5
Brugia malayi	follicle stimulating hormone receptor	0.0246	0.7107	1
Echinococcus granulosus	diuretic hormone 44 receptor GPRdih2	0.0031	0.0145	0.0145
Echinococcus granulosus	Mitotic checkpoint protein PRCC C terminal	0.0129	0.3308	0.3308
Loa Loa (eye worm)	D-ets-4 DNA binding domain-containing protein	0.0071	0.145	0.204
Onchocerca volvulus		0.0037	0.034	0.0857
Brugia malayi	3-hydroxyacyl-CoA dehydrogenase type II	0.0066	0.1262	0.1776
Schistosoma mansoni	thyroid hormone receptor	0.0149	0.3966	0.6431
Schistosoma mansoni	hypothetical protein	0.0031	0.0145	0.0235
Mycobacterium tuberculosis	Probable peptide synthetase Nrp (peptide synthase)	0.0037	0.034	0.0493
Mycobacterium ulcerans	acyl-CoA synthetase	0.0127	0.3246	1
Mycobacterium leprae	PROBABLE FATTY-ACID-CoA LIGASE FADD7 (FATTY-ACID-CoA SYNTHETASE) (FATTY-ACID-CoA SYNTHASE)	0.0127	0.3246	0.8972
Mycobacterium ulcerans	acyl-CoA synthetase	0.0127	0.3246	1
Schistosoma mansoni	transcription factor LCR-F1	0.0036	0.0284	0.046
Loa Loa (eye worm)	hypothetical protein	0.0099	0.2331	0.328
Echinococcus multilocularis	acetyl coenzyme A synthetase, cytoplasmic	0.0037	0.034	0.034

Activities

No activities found for this compound.

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

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Bibliographic References

No literature references available for this target.

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Detailed information for compound 740631