TDR Targets

Basic information

Technical information

TDR Targets ID: 1787596
Name: 6-(5-chloro-2-hydroxyphenyl)-2-oxo-4-phenyl-1 H-pyridine-3-carbonitrile
MW: 322.745 | Formula: C18H11ClN2O2
H donors: 2 H acceptors: 3 LogP: 3.22 Rotable bonds: 2
Rule of 5 violations (Lipinski): 1
SMILES: N#Cc1c(=O)[nH]c(cc1c1ccccc1)c1cc(Cl)ccc1O
InChi: 1S/C18H11ClN2O2/c19-12-6-7-17(22)14(8-12)16-9-13(11-4-2-1-3-5-11)15(10-20)18(23)21-16/h1-9,22H,(H,21,23)
InChiKey: YMRFUBCTDSEQIF-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

6-(5-chloro-2-hydroxy-phenyl)-2-oxo-4-phenyl-1H-pyridine-3-carbonitrile
6-(5-chloro-2-hydroxy-phenyl)-2-keto-4-phenyl-1H-pyridine-3-carbonitrile

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
Trypanosoma cruzi	polo-like protein kinase, putative	0.0109	0.0068	0.3767
Brugia malayi	Heterochromatin protein 1	0.0154	0.0104	0.0104
Echinococcus multilocularis	chromobox protein 1	0.0154	0.0104	0.0104
Loa Loa (eye worm)	indoleamine 2,3-dioxygenase	1.2437	1	1
Trichomonas vaginalis	CAMK family protein kinase	0.0109	0.0068	0.1686
Schistosoma mansoni	transcription factor LCR-F1	0.0038	0.001	0.001
Trypanosoma brucei	hypothetical protein, conserved	0.0246	0.0178	1
Echinococcus granulosus	histone lysine methyltransferase setb	0.0066	0.0033	0.0033
Loa Loa (eye worm)	pyruvate kinase	0.0035	0.0008	0.0008
Plasmodium vivax	pyruvate kinase, putative	0.0035	0.0008	0.2442
Echinococcus granulosus	chromobox protein 1	0.0154	0.0104	0.0104
Trichomonas vaginalis	conserved hypothetical protein	0.0086	0.0049	0.1226
Echinococcus multilocularis	indoleamine 2,3 dioxygenase 2	1.2437	1	1
Trichomonas vaginalis	conserved hypothetical protein	0.0061	0.0029	0.0721
Echinococcus multilocularis	citrate lyase subunit beta protein	0.0028	0.0003	0.0003
Plasmodium vivax	SET domain protein, putative	0.0066	0.0033	1
Mycobacterium tuberculosis	NADPH-dependent mycothiol reductase Mtr	0.0044	0.0015	0.1866
Onchocerca volvulus	Pyruvate kinase homolog	0.0035	0.0008	0.02
Loa Loa (eye worm)	hypothetical protein	0.0066	0.0033	0.0033
Schistosoma mansoni	histone-lysine n-methyltransferase setb1	0.0066	0.0033	0.0033
Trichomonas vaginalis	chromobox protein, putative	0.0154	0.0104	0.2584
Mycobacterium tuberculosis	Probable NADH dehydrogenase Ndh	0.01	0.006	0.8652
Schistosoma mansoni	pyruvate kinase	0.0035	0.0008	0.0008
Trichomonas vaginalis	pyruvate kinase, putative	0.0035	0.0008	0.02
Brugia malayi	Pyruvate kinase, M2 isozyme	0.0035	0.0008	0.0008
Onchocerca volvulus	Pyruvate kinase homolog	0.0035	0.0008	0.02
Onchocerca volvulus		0.0068	0.0034	0.0852
Schistosoma mansoni	histone-lysine n-methyltransferase setb1	0.0066	0.0033	0.0033
Schistosoma mansoni	hypothetical protein	0.0064	0.0032	0.0032
Trypanosoma brucei	pyruvate kinase 1, putative	0.0035	0.0008	0.0392
Plasmodium falciparum	thioredoxin reductase	0.0044	0.0015	0.4724
Mycobacterium leprae	PROBABLE NADH DEHYDROGENASE NDH	0.01	0.006	0.853
Echinococcus multilocularis	histone lysine methyltransferase setb histone lysine methyltransferase eggless	0.0066	0.0033	0.0033
Trypanosoma brucei	polo-like protein kinase	0.0109	0.0068	0.3767
Echinococcus multilocularis	chromobox protein 1	0.0154	0.0104	0.0104
Trypanosoma cruzi	hypothetical protein, conserved	0.0246	0.0178	1
Giardia lamblia	Kinase, PLK	0.0109	0.0068	1
Echinococcus multilocularis	Basic leucine zipper (bZIP) transcription	0.0038	0.001	0.001
Trichomonas vaginalis	CAMK family protein kinase	0.0109	0.0068	0.1686
Trichomonas vaginalis	set domain proteins, putative	0.0523	0.0401	1
Loa Loa (eye worm)	jmjC domain-containing protein	0.0078	0.0042	0.0042
Schistosoma mansoni	jumonji/arid domain-containing protein	0.0078	0.0042	0.0042
Loa Loa (eye worm)	hypothetical protein	0.011	0.0069	0.0069
Trichomonas vaginalis	CAMK family protein kinase	0.0054	0.0023	0.0579
Toxoplasma gondii	histone lysine methyltransferase SET/SUV39	0.0066	0.0033	1
Schistosoma mansoni	kinase	0.0055	0.0024	0.0024
Echinococcus multilocularis	serine:threonine protein kinase PLK1	0.0109	0.0068	0.0068
Toxoplasma gondii	pyruvate kinase PyK1	0.0035	0.0008	0.2442
Plasmodium falciparum	pyruvate kinase	0.0035	0.0008	0.2538
Brugia malayi	SET domain containing protein	0.0028	0.0002	0.0002
Echinococcus multilocularis	lysine specific demethylase 5A	0.0078	0.0042	0.0042
Trypanosoma cruzi	pyruvate kinase 2, putative	0.0035	0.0008	0.0392
Echinococcus multilocularis	Transcription factor, JmjC domain containing protein	0.0211	0.015	0.015
Schistosoma mansoni	chromobox protein	0.0154	0.0104	0.0104
Loa Loa (eye worm)	PLK/PLK1 protein kinase	0.0109	0.0068	0.0068
Trypanosoma cruzi	hypothetical protein, conserved	0.0246	0.0178	1
Brugia malayi	glutathione reductase	0.0044	0.0015	0.0015
Trichomonas vaginalis	chromobox protein, putative	0.0093	0.0054	0.1358
Trichomonas vaginalis	conserved hypothetical protein	0.0086	0.0049	0.1226
Echinococcus multilocularis	jumonji domain containing protein	0.009	0.0052	0.0052
Schistosoma mansoni	histone-lysine n-methyltransferase suv9	0.0091	0.0053	0.0053
Trichomonas vaginalis	chromobox protein, putative	0.0154	0.0104	0.2584
Toxoplasma gondii	PHD-finger domain-containing protein	0.0064	0.0032	0.9622
Onchocerca volvulus		0.0091	0.0053	0.1324
Onchocerca volvulus		0.0025	0.0000000022233	0.000000055456
Trichomonas vaginalis	conserved hypothetical protein	0.0061	0.0029	0.0721
Schistosoma mansoni	serine/threonine protein kinase	0.0109	0.0068	0.0068
Schistosoma mansoni	hypothetical protein	1.2437	1	1
Brugia malayi	jmjC domain containing protein	0.0078	0.0042	0.0042
Brugia malayi	Muscleblind-like protein	0.0157	0.0106	0.0106
Trypanosoma brucei	trypanothione reductase	0.0044	0.0015	0.0783
Plasmodium vivax	glutathione reductase, putative	0.0044	0.0015	0.4545
Trichomonas vaginalis	CAMK family protein kinase	0.0054	0.0023	0.0579
Giardia lamblia	PHD finger protein 15	0.0064	0.0032	0.3953
Echinococcus granulosus	thioredoxin glutathione reductase	0.0044	0.0015	0.0015
Echinococcus granulosus	PHD finger protein rhinoceros	0.0064	0.0032	0.0032
Echinococcus granulosus	pyruvate kinase	0.0035	0.0008	0.0008
Chlamydia trachomatis	pyruvate kinase	0.0035	0.0008	0.5
Onchocerca volvulus	Heterochromatin protein 1 homolog	0.0086	0.0049	0.1226
Trichomonas vaginalis	CAMK family protein kinase	0.0109	0.0068	0.1686
Loa Loa (eye worm)	hypothetical protein	0.0064	0.0032	0.0032
Loa Loa (eye worm)	hypothetical protein	0.0035	0.0008	0.0008
Loa Loa (eye worm)	hypothetical protein	0.0027	0.0001	0.0001
Plasmodium falciparum	ataxin-2 like protein, putative	0.0027	0.0001	0.0348
Trypanosoma cruzi	pyruvate kinase 2, putative	0.0035	0.0008	0.0392
Echinococcus granulosus	peregrin	0.0064	0.0032	0.0032
Plasmodium falciparum	phd finger protein, putative	0.0064	0.0032	1
Echinococcus granulosus	geminin	0.0178	0.0123	0.0123
Leishmania major	2,4-dihydroxyhept-2-ene-1,7-dioic acid aldolase, putative	0.0028	0.0003	0.008
Echinococcus granulosus	Chromobox protein 3	0.0025	0.0000000022233	0.0000000022233
Onchocerca volvulus	Serine\/threonine kinase homolog	0.0109	0.0068	0.1686
Trypanosoma cruzi	polo-like protein kinase, putative	0.0109	0.0068	0.3767
Brugia malayi	jmjC domain containing protein	0.0211	0.015	0.015
Brugia malayi	hypothetical protein	0.0038	0.001	0.001
Toxoplasma gondii	PHD-finger domain-containing protein	0.0064	0.0032	0.9622
Echinococcus granulosus	serine:threonine protein kinase PLK1	0.0109	0.0068	0.0068
Echinococcus multilocularis	muscleblind protein	0.0157	0.0106	0.0106
Trichomonas vaginalis	chromobox protein, putative	0.0093	0.0054	0.1358
Onchocerca volvulus	Heterochromatin protein 1 homolog	0.0093	0.0054	0.1358
Echinococcus multilocularis	muscleblind protein 1	0.0157	0.0106	0.0106
Mycobacterium tuberculosis	NAD(P)H quinone reductase LpdA	0.0111	0.0069	1
Entamoeba histolytica	hypothetical protein	0.0038	0.001	0.1514
Mycobacterium tuberculosis	Putative ferredoxin reductase	0.01	0.006	0.8652
Loa Loa (eye worm)	pyruvate kinase	0.0035	0.0008	0.0008
Leishmania major	pyruvate kinase	0.0035	0.0008	0.0392
Mycobacterium tuberculosis	Probable dehydrogenase	0.01	0.006	0.8652
Schistosoma mansoni	jumonji domain containing protein	0.0167	0.0115	0.0115
Schistosoma mansoni	hypothetical protein	0.0038	0.001	0.001
Brugia malayi	hypothetical protein	0.0027	0.0001	0.0001
Mycobacterium tuberculosis	Probable nitrite reductase [NAD(P)H] large subunit [FAD flavoprotein] NirB	0.01	0.006	0.8652
Echinococcus multilocularis	histone lysine N methyltransferase SETMAR	0.0066	0.0033	0.0033
Echinococcus granulosus	pyruvate kinase	0.0035	0.0008	0.0008
Loa Loa (eye worm)	hypothetical protein	0.0086	0.0049	0.0049
Trichomonas vaginalis	Citrate lyase beta chain, putative	0.0028	0.0003	0.0063
Brugia malayi	Pyruvate kinase, muscle isozyme	0.0035	0.0008	0.0008
Echinococcus multilocularis	pyruvate kinase	0.0035	0.0008	0.0008
Echinococcus granulosus	Transcription factor JmjC domain containing protein	0.0211	0.015	0.015
Schistosoma mansoni	bromodomain-containing nuclear protein 1 brd1	0.0064	0.0032	0.0032
Trypanosoma cruzi	2,4-dihydroxyhept-2-ene-1,7-dioic acid aldolase, putative	0.0028	0.0003	0.008
Mycobacterium tuberculosis	Dihydrolipoamide dehydrogenase LpdC (lipoamide reductase (NADH)) (lipoyl dehydrogenase) (dihydrolipoyl dehydrogenase) (diaphoras	0.0111	0.0069	1
Entamoeba histolytica	hypothetical protein	0.0038	0.001	0.1514
Plasmodium falciparum	ataxin-2 like protein, putative	0.0027	0.0001	0.0348
Trypanosoma cruzi	2,4-dihydroxyhept-2-ene-1,7-dioic acid aldolase, putative	0.0028	0.0003	0.008
Leishmania major	trypanothione reductase	0.0044	0.0015	0.0783
Mycobacterium tuberculosis	Probable membrane NADH dehydrogenase NdhA	0.01	0.006	0.8652
Plasmodium vivax	ataxin-2 like protein, putative	0.0027	0.0001	0.0335
Loa Loa (eye worm)	pyruvate kinase	0.0035	0.0008	0.0008
Onchocerca volvulus	Pyruvate kinase homolog	0.0035	0.0008	0.02
Echinococcus multilocularis	peregrin	0.0064	0.0032	0.0032
Schistosoma mansoni	hypothetical protein	0.0178	0.0123	0.0123
Loa Loa (eye worm)	jmjC domain-containing protein	0.0133	0.0087	0.0087
Plasmodium falciparum	glutathione reductase	0.0044	0.0015	0.4724
Loa Loa (eye worm)	hypothetical protein	0.0068	0.0034	0.0034
Echinococcus multilocularis	pyruvate kinase	0.0035	0.0008	0.0008
Brugia malayi	Pre-SET motif family protein	0.0066	0.0033	0.0033
Trichomonas vaginalis	CAMK family protein kinase	0.0109	0.0068	0.1686
Echinococcus multilocularis	geminin	0.0178	0.0123	0.0123
Loa Loa (eye worm)	pre-SET domain-containing protein family protein	0.0459	0.035	0.035
Echinococcus granulosus	lysine specific demethylase 5A	0.0078	0.0042	0.0042
Entamoeba histolytica	serine/threonine protein kinase, putative	0.0109	0.0068	1
Trichomonas vaginalis	CAMK family protein kinase	0.0109	0.0068	0.1686
Echinococcus granulosus	citrate lyase subunit beta protein	0.0028	0.0003	0.0003
Schistosoma mansoni	histone-lysine n-methyltransferase setb1	0.0066	0.0033	0.0033
Entamoeba histolytica	hypothetical protein	0.0038	0.001	0.1514
Echinococcus granulosus	chromobox protein 1	0.0154	0.0104	0.0104
Trichomonas vaginalis	pyruvate kinase, putative	0.0035	0.0008	0.02
Brugia malayi	chromobox protein homolog 3	0.0086	0.0049	0.0049
Loa Loa (eye worm)	PHD-finger family protein	0.0064	0.0032	0.0032
Toxoplasma gondii	thioredoxin reductase	0.0044	0.0015	0.4545
Loa Loa (eye worm)	hypothetical protein	0.0157	0.0106	0.0106
Schistosoma mansoni	chromobox protein	0.0154	0.0104	0.0104
Plasmodium vivax	hypothetical protein, conserved	0.0064	0.0032	0.9622
Leishmania major	pyruvate kinase	0.0035	0.0008	0.0392
Trypanosoma brucei	pyruvate kinase 1	0.0035	0.0008	0.0392
Trichomonas vaginalis	CAMK family protein kinase	0.0109	0.0068	0.1686
Entamoeba histolytica	hypothetical protein	0.0038	0.001	0.1514
Echinococcus granulosus	5'partial\|histone lysine N methyltransferase SETDB2	0.0063	0.0031	0.0031
Loa Loa (eye worm)	glutathione reductase	0.0044	0.0015	0.0015
Echinococcus granulosus	jumonji domain containing protein	0.009	0.0052	0.0052
Leishmania major	hypothetical protein, conserved	0.0246	0.0178	1
Toxoplasma gondii	LsmAD domain-containing protein	0.0027	0.0001	0.0335
Echinococcus multilocularis	Chromobox protein 3	0.0025	0.0000000022233	0.0000000022233
Plasmodium vivax	thioredoxin reductase, putative	0.0044	0.0015	0.4545
Brugia malayi	Thioredoxin reductase	0.0044	0.0015	0.0015
Loa Loa (eye worm)	thioredoxin reductase	0.0044	0.0015	0.0015
Brugia malayi	serine/threonine-protein kinase plk-2	0.0109	0.0068	0.0068
Schistosoma mansoni	pyruvate kinase	0.0035	0.0008	0.0008
Schistosoma mansoni	hypothetical protein	1.2437	1	1
Echinococcus granulosus	indoleamine 23 dioxygenase 2	1.2437	1	1
Leishmania major	protein kinase, putative,polo-like protein kinase, putative	0.0109	0.0068	0.3767
Onchocerca volvulus		0.0523	0.0401	1
Brugia malayi	Pre-SET motif family protein	0.0459	0.035	0.035
Mycobacterium tuberculosis	Probable pyruvate kinase PykA	0.0035	0.0008	0.0828
Mycobacterium leprae	DIHYDROLIPOAMIDE DEHYDROGENASE LPD (LIPOAMIDE REDUCTASE (NADH)) (LIPOYL DEHYDROGENASE) (DIHYDROLIPOYL DEHYDROGENASE) (DIAPHORASE	0.0111	0.0069	1
Echinococcus multilocularis	pyruvate kinase	0.0028	0.0002	0.0002
Schistosoma mansoni	jumonji/arid domain-containing protein	0.0078	0.0042	0.0042
Trypanosoma cruzi	trypanothione reductase, putative	0.0044	0.0015	0.0783
Mycobacterium tuberculosis	Probable oxidoreductase	0.0111	0.0069	1
Loa Loa (eye worm)	heterochromatin protein 1	0.0154	0.0104	0.0104
Brugia malayi	PHD-finger family protein	0.0064	0.0032	0.0032
Schistosoma mansoni	hypothetical protein	0.0178	0.0123	0.0123
Trichomonas vaginalis	CAMK family protein kinase	0.0109	0.0068	0.1686
Echinococcus multilocularis	thioredoxin glutathione reductase	0.0044	0.0015	0.0015
Echinococcus granulosus	Basic leucine zipper bZIP transcription	0.0038	0.001	0.001
Mycobacterium ulcerans	pyruvate kinase	0.0035	0.0008	1
Echinococcus granulosus	muscleblind protein	0.0157	0.0106	0.0106
Brugia malayi	Bromodomain containing protein	0.0064	0.0032	0.0032
Mycobacterium tuberculosis	Probable reductase	0.01	0.006	0.8652
Echinococcus multilocularis	PHD finger protein rhinoceros	0.0064	0.0032	0.0032
Loa Loa (eye worm)	hypothetical protein	0.0157	0.0106	0.0106
Onchocerca volvulus	Alhambra homolog	0.0064	0.0032	0.0787

Activities

Activity type	Activity value	Assay description	Source	Reference
Time (binding)	= 62.45 min	Modulation of GFP-tagged survivin dimerization in HUVEC assessed as time length of mitosis at 100 nM after 48 hrs by real-time video microscopy (Rvb = 51.2 +/- 2.3 mins)	ChEMBL.	23968825

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: CHEMBL2424940

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 1787596