TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 381.812 | Formula: C20H16ClN3O3
H donors: 3 H acceptors: 3 LogP: 3.7 Rotable bonds: 7
Rule of 5 violations (Lipinski): 1
SMILES: O=C(CNC(=O)c1ccc(cc1)Cl)N/N=C/c1c(O)ccc2c1cccc2
InChi: 1S/C20H16ClN3O3/c21-15-8-5-14(6-9-15)20(27)22-12-19(26)24-23-11-17-16-4-2-1-3-13(16)7-10-18(17)25/h1-11,25H,12H2,(H,22,27)(H,24,26)/b23-11+
InChiKey: PAHWRFXVLMVPKT-FOKLQQMPSA-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
Loa Loa (eye worm)	pigment dispersing factor receptor c	0.0048	0.041	0.1081
Loa Loa (eye worm)	hypothetical protein	0.0308	0.3791	1
Mycobacterium tuberculosis	Probable esterase LipL	0.0036	0.0247	0.0676
Mycobacterium tuberculosis	Probable L-lysine-epsilon aminotransferase Lat (L-lysine aminotransferase) (lysine 6-aminotransferase)	0.0042	0.0333	0.091
Toxoplasma gondii	ornithine aminotransferase, mitochondrial precursor, putative	0.0042	0.0333	1
Schistosoma mansoni	microtubule-associated protein tau	0.0733	0.9325	1
Mycobacterium tuberculosis	Probable glutamate-1-semialdehyde 2,1-aminomutase HemL (GSA) (glutamate-1-semialdehyde aminotransferase) (GSA-at)	0.0042	0.0333	0.091
Trypanosoma cruzi	hypothetical protein, conserved	0.0036	0.0247	1
Brugia malayi	GTP-binding regulatory protein Gs alpha-S chain, putative	0.0046	0.0377	0.0994
Brugia malayi	Corticotropin releasing factor receptor 2 precursor, putative	0.0048	0.041	0.1081
Mycobacterium ulcerans	ornithine aminotransferase RocD1 and RocD2	0.0042	0.0333	0.0251
Echinococcus multilocularis	geminin	0.018	0.2125	0.2125
Trichomonas vaginalis	fructose-bisphosphate aldolase, putative	0.0289	0.3542	0.9653
Brugia malayi	beta-lactamase family protein	0.0036	0.0247	0.0652
Schistosoma mansoni	ornithine--oxo-acid transaminase	0.0042	0.0333	0.0357
Mycobacterium tuberculosis	Possible penicillin-binding protein	0.0229	0.2757	0.7533
Brugia malayi	Calcitonin receptor-like protein seb-1	0.0048	0.041	0.1081
Onchocerca volvulus		0.0036	0.0247	0.0307
Loa Loa (eye worm)	hypothetical protein	0.0033	0.0211	0.0556
Mycobacterium tuberculosis	Probable acetylornithine aminotransferase ArgD	0.0042	0.0333	0.091
Brugia malayi	Pre-SET motif family protein	0.0029	0.0166	0.0437
Echinococcus granulosus	5'partial\|histone lysine N methyltransferase SETDB2	0.0028	0.0151	0.0162
Entamoeba histolytica	fructose-1,6-bisphosphate aldolase, putative	0.0289	0.3542	1
Mycobacterium tuberculosis	Conserved protein	0.0036	0.0247	0.0676
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0046	0.0377	0.0377
Echinococcus granulosus	Aminotransferase class III	0.0042	0.0333	0.0357
Echinococcus granulosus	beta LACTamase domain containing family member	0.0036	0.0247	0.0265
Mycobacterium leprae	PROBABLE ADENOSYLMETHIONINE-8-AMINO-7-OXONONANOATE AMINOTRANSFERASE BIOA	0.0298	0.366	1
Trichomonas vaginalis	fructose-bisphosphate aldolase, putative	0.0289	0.3542	0.9653
Plasmodium vivax	hypothetical protein, conserved	0.0036	0.0247	0.7428
Echinococcus granulosus	muscleblind protein	0.0308	0.3791	0.4065
Trichomonas vaginalis	set domain proteins, putative	0.0234	0.2829	0.7565
Mycobacterium tuberculosis	Conserved protein	0.0036	0.0247	0.0676
Echinococcus multilocularis	Basic leucine zipper (bZIP) transcription	0.0073	0.0732	0.0732
Schistosoma mansoni	hypothetical protein	0.018	0.2125	0.2279
Mycobacterium ulcerans	fructose-bisphosphate aldolase	0.0141	0.1618	0.4018
Trypanosoma cruzi	hypothetical protein, conserved	0.0036	0.0247	1
Trichomonas vaginalis	fructose-bisphosphate aldolase, putative	0.0289	0.3542	0.9653
Brugia malayi	Pre-SET motif family protein	0.0206	0.2459	0.6487
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0046	0.0377	0.0404
Trichomonas vaginalis	acetylornithine aminotransferase, putative	0.0298	0.366	1
Brugia malayi	4-aminobutyrate aminotransferase, mitochondrial precursor	0.0042	0.0333	0.0878
Loa Loa (eye worm)	pre-SET domain-containing protein family protein	0.0206	0.2459	0.6487
Echinococcus multilocularis	muscleblind protein	0.0308	0.3791	0.3791
Brugia malayi	beta-lactamase family protein	0.0036	0.0247	0.0652
Loa Loa (eye worm)	hypothetical protein	0.0036	0.0247	0.0652
Mycobacterium tuberculosis	Conserved protein	0.0036	0.0247	0.0676
Mycobacterium tuberculosis	Probable lipase LipD	0.0036	0.0247	0.0676
Echinococcus granulosus	ornithine aminotransferase	0.0042	0.0333	0.0357
Echinococcus granulosus	microtubule associated protein 2	0.0733	0.9325	1
Schistosoma mansoni	transcription factor LCR-F1	0.0073	0.0732	0.0785
Mycobacterium leprae	Probable fructose bisphosphate aldolase Fba	0.0141	0.1618	0.4018
Mycobacterium leprae	PROBABLE GLUTAMATE-1-SEMIALDEHYDE 2,1-AMINOMUTASE HEML (GSA) (GLUTAMATE-1-SEMIALDEHYDE AMINOTRANSFERASE) (GSA-AT)	0.0042	0.0333	0.0251
Mycobacterium tuberculosis	Probable ornithine aminotransferase (N-terminus part) RocD1 (ornithine--oxo-acid aminotransferase)	0.0042	0.0333	0.091
Brugia malayi	Muscleblind-like protein	0.0308	0.3791	1
Echinococcus multilocularis	Aminotransferase class III	0.0042	0.0333	0.0333
Loa Loa (eye worm)	hypothetical protein	0.0308	0.3791	1
Schistosoma mansoni	family S12 unassigned peptidase (S12 family)	0.0036	0.0247	0.0265
Loa Loa (eye worm)	GTP-binding regulatory protein Gs alpha-S chain	0.0046	0.0377	0.0994
Echinococcus multilocularis	microtubule associated protein 2	0.0733	0.9325	0.9325
Echinococcus multilocularis	histone lysine N methyltransferase SETMAR	0.0029	0.0166	0.0166
Mycobacterium ulcerans	hypothetical protein	0.0298	0.366	1
Loa Loa (eye worm)	hypothetical protein	0.0036	0.0247	0.0652
Brugia malayi	beta-lactamase	0.0036	0.0247	0.0652
Mycobacterium ulcerans	4-aminobutyrate aminotransferase	0.0042	0.0333	0.0251
Toxoplasma gondii	ABC1 family protein	0.0036	0.0247	0.7428
Brugia malayi	hypothetical protein	0.0073	0.0732	0.1932
Mycobacterium leprae	Probable 4-aminobutyrate aminotransferase GabT (GAMMA-AMINO-N-BUTYRATE TRANSAMINASE) (GABA TRANSAMINASE) (GLUTAMATE:SUCCINIC SEM	0.0042	0.0333	0.0251
Echinococcus multilocularis	ornithine aminotransferase	0.0042	0.0333	0.0333
Echinococcus granulosus	geminin	0.018	0.2125	0.2279
Trichomonas vaginalis	fructose-bisphosphate aldolase, putative	0.0289	0.3542	0.9653
Echinococcus multilocularis	histone lysine methyltransferase setb histone lysine methyltransferase eggless	0.0029	0.0166	0.0166
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0046	0.0377	0.0404
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0046	0.0377	0.0404
Trichomonas vaginalis	fructose-bisphosphate aldolase, putative	0.0289	0.3542	0.9653
Plasmodium vivax	SET domain protein, putative	0.0029	0.0166	0.4973
Onchocerca volvulus		0.0036	0.0247	0.0307
Onchocerca volvulus		0.0234	0.2829	1
Mycobacterium tuberculosis	Possible conserved lipoprotein LpqK	0.0036	0.0247	0.0676
Plasmodium vivax	ornithine aminotransferase, putative	0.0042	0.0333	1
Mycobacterium tuberculosis	Probable conserved lipoprotein	0.0036	0.0247	0.0676
Mycobacterium tuberculosis	Probable hydrolase	0.0036	0.0247	0.0676
Trichomonas vaginalis	fructose-bisphosphate aldolase, putative	0.0289	0.3542	0.9653
Trypanosoma brucei	hypothetical protein, conserved	0.0036	0.0247	1
Loa Loa (eye worm)	hypothetical protein	0.0036	0.0247	0.0652
Giardia lamblia	Fructose-bisphosphate aldolase	0.0289	0.3542	0.5
Loa Loa (eye worm)	beta-lactamase	0.0036	0.0247	0.0652
Loa Loa (eye worm)	hypothetical protein	0.0036	0.0247	0.0652
Brugia malayi	latrophilin 2 splice variant baaae	0.0033	0.0211	0.0556
Mycobacterium tuberculosis	Probable lipase LipE	0.0036	0.0247	0.0676
Mycobacterium tuberculosis	Probable aminotransferase	0.0298	0.366	1
Mycobacterium tuberculosis	Probable esterase/lipase LipP	0.0036	0.0247	0.0676
Loa Loa (eye worm)	hypothetical protein	0.0036	0.0247	0.0652
Leishmania major	hypothetical protein, conserved	0.0036	0.0247	1
Schistosoma mansoni	hypothetical protein	0.018	0.2125	0.2279
Echinococcus multilocularis	beta LACTamase domain containing family member	0.0036	0.0247	0.0247
Mycobacterium ulcerans	4-aminobutyrate aminotransferase	0.0042	0.0333	0.0251
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0046	0.0377	0.0404
Loa Loa (eye worm)	beta-LACTamase domain containing family member	0.0036	0.0247	0.0652
Loa Loa (eye worm)	hypothetical protein	0.0036	0.0247	0.0652
Echinococcus granulosus	histone lysine methyltransferase setb	0.0029	0.0166	0.0178
Schistosoma mansoni	hypothetical protein	0.0033	0.0211	0.0226
Schistosoma mansoni	histone-lysine n-methyltransferase setb1	0.0029	0.0166	0.0178
Trichomonas vaginalis	fructose-bisphosphate aldolase, putative	0.0289	0.3542	0.9653
Echinococcus granulosus	Basic leucine zipper bZIP transcription	0.0073	0.0732	0.0785
Schistosoma mansoni	histone-lysine n-methyltransferase suv9	0.0029	0.0166	0.0178
Mycobacterium leprae	Probable Acetylornithine aminotransferase ArgD	0.0042	0.0333	0.0251
Mycobacterium ulcerans	acetylornithine aminotransferase	0.0042	0.0333	0.0251
Schistosoma mansoni	hypothetical protein	0.0073	0.0732	0.0785
Onchocerca volvulus		0.0036	0.0247	0.0307
Wolbachia endosymbiont of Brugia malayi	acetylornithine transaminase protein	0.0042	0.0333	0.5
Mycobacterium ulcerans	adenosylmethionine-8-amino-7-oxononanoate aminotransferase	0.0298	0.366	1
Schistosoma mansoni	family S12 unassigned peptidase (S12 family)	0.0036	0.0247	0.0265
Echinococcus multilocularis	muscleblind protein 1	0.0308	0.3791	0.3791
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0046	0.0377	0.0377
Mycobacterium tuberculosis	Adenosylmethionine-8-amino-7-oxononanoate aminotransferase BioA	0.0298	0.366	1
Chlamydia trachomatis	glutamate-1-semialdehyde-2,1-aminomutase	0.0042	0.0333	0.5
Treponema pallidum	fructose-bisphosphate aldolase	0.0289	0.3542	0.5
Trichomonas vaginalis	fructose-bisphosphate aldolase, putative	0.0289	0.3542	0.9653
Mycobacterium ulcerans	glutamate-1-semialdehyde aminotransferase	0.0042	0.0333	0.0251
Toxoplasma gondii	histone lysine methyltransferase SET/SUV39	0.0029	0.0166	0.4973
Schistosoma mansoni	histone-lysine n-methyltransferase setb1	0.0029	0.0166	0.0178
Mycobacterium tuberculosis	Probable fructose-bisphosphate aldolase Fba	0.0141	0.1618	0.4422
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0046	0.0377	0.0404
Brugia malayi	Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative	0.0036	0.0247	0.0652
Echinococcus multilocularis	ornithine aminotransferase	0.0042	0.0333	0.0333
Mycobacterium ulcerans	L-lysine aminotransferase	0.0042	0.0333	0.0251
Plasmodium falciparum	ornithine aminotransferase	0.0042	0.0333	1
Entamoeba histolytica	fructose-1,6-bisphosphate aldolase, putative	0.0289	0.3542	1
Loa Loa (eye worm)	hypothetical protein	0.0048	0.041	0.1081
Schistosoma mansoni	histone-lysine n-methyltransferase setb1	0.0029	0.0166	0.0178
Loa Loa (eye worm)	hypothetical protein	0.0029	0.0166	0.0437

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

ChEMBL: CHEMBL509431

Bibliographic References

No literature references available for this target.

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

Detailed information for compound 1009490