TDR Targets

Basic information

Technical information

TDR Targets ID: 877125
Name: ZINC05009827
MW: 419.496 | Formula: C23H21N3O3S
H donors: 1 H acceptors: 2 LogP: 4.17 Rotable bonds: 6
Rule of 5 violations (Lipinski): 1
SMILES: COc1ccccc1NC(=O)Cn1cnc2c(c1=O)c(c1ccc(cc1)C)c(s2)C
InChi: 1S/C23H21N3O3S/c1-14-8-10-16(11-9-14)20-15(2)30-22-21(20)23(28)26(13-24-22)12-19(27)25-17-6-4-5-7-18(17)29-3/h4-11,13H,12H2,1-3H3,(H,25,27)
InChiKey: USOOHUBQPPFJBV-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

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
Brugia malayi	Phosphatidylinositol 3- and 4-kinase family protein	0.0067	0.0934	0.336
Trichomonas vaginalis	phosphatidylinositol kinase, putative	0.0035	0.028	0.0925
Echinococcus multilocularis	tyrosine protein kinase Src42A	0.0038	0.0347	0.0815
Echinococcus granulosus	tyrosine protein kinase Src42A	0.0052	0.0622	0.0728
Echinococcus multilocularis	tyrosine protein kinase lyn lyn a protein tyrosine kinase lymphocyte specific protein tyrosine kinase	0.0052	0.0622	0.146
Loa Loa (eye worm)	hypothetical protein	0.0051	0.0606	0.0397
Loa Loa (eye worm)	cyclin domain-containing protein	0.0033	0.0243	0.0026
Plasmodium vivax	protein kinase Crk2	0.0047	0.0531	0.5
Plasmodium falciparum	protein kinase 5	0.0047	0.0531	1
Trypanosoma cruzi	cdc2-related kinase 1	0.0047	0.0531	0.2155
Loa Loa (eye worm)	hypothetical protein	0.0052	0.0641	0.0432
Echinococcus multilocularis	proto oncogene tyrosine protein kinase LCK	0.0052	0.0622	0.146
Trichomonas vaginalis	phosphatidylinositol 3-kinase catalytic subunit alpha, beta, delta, putative	0.0035	0.028	0.0925
Trichomonas vaginalis	cyclin B, putative	0.0052	0.0641	0.3281
Echinococcus multilocularis	cyclin dependent kinase 5	0.0047	0.0531	0.1246
Echinococcus multilocularis	cyclins	0.0033	0.0243	0.0571
Trypanosoma cruzi	phosphatidylinositol 3-kinase vps34-like	0.0035	0.028	0.0426
Trichomonas vaginalis	phosphatidylinositol kinase, putative	0.0103	0.1671	1
Echinococcus multilocularis	cyclins	0.0033	0.0243	0.0571
Schistosoma mansoni	defective proboscis extension response (dpr)-related	0.0051	0.0606	0.1473
Loa Loa (eye worm)	hypothetical protein	0.0058	0.0752	0.0546
Loa Loa (eye worm)	hypothetical protein	0.0051	0.0606	0.0397
Loa Loa (eye worm)	TK protein kinase	0.0116	0.1932	0.1753
Echinococcus granulosus	cyclin dependent kinase	0.0047	0.0531	0.0621
Echinococcus multilocularis	neuroglian	0.0056	0.0721	0.1691
Echinococcus granulosus	cyclins	0.0033	0.0243	0.0285
Brugia malayi	Protein kinase domain containing protein	0.0047	0.0531	0.1398
Echinococcus granulosus	tyrosine protein kinase Fyn	0.0052	0.0622	0.0728
Echinococcus multilocularis	phosphatidylinositol 4,5 bisphosphate 3 kinase	0.0194	0.3511	0.8241
Schistosoma mansoni	tyrosine kinase	0.0111	0.1818	0.4417
Echinococcus multilocularis	cyclins	0.0033	0.0243	0.0571
Schistosoma mansoni	tyrosine kinase	0.0052	0.0622	0.1512
Loa Loa (eye worm)	hypothetical protein	0.0052	0.0641	0.0432
Echinococcus granulosus	tyrosine protein kinase Lyn	0.0053	0.0662	0.0774
Echinococcus granulosus	twitchin	0.0058	0.076	0.0889
Echinococcus multilocularis	cyclins	0.0033	0.0243	0.0571
Echinococcus granulosus	5'partial\|cyclin dependent kinase 1	0.0047	0.0531	0.0621
Echinococcus multilocularis	Immunoglobulin	0.0051	0.0606	0.1423
Entamoeba histolytica	phosphatidylinositol 3-kinase, putative	0.0046	0.0507	0.185
Entamoeba histolytica	phosphatidylinositol 3-kinase, putative	0.0082	0.1244	0.7009
Trypanosoma cruzi	cyclin 6, putative	0.0052	0.0641	0.2911
Toxoplasma gondii	cell-cycle-associated protein kinase CDK, putative	0.0047	0.0531	1
Loa Loa (eye worm)	hypothetical protein	0.0067	0.0934	0.0732
Echinococcus multilocularis	tyrosine protein kinase Fyn	0.0052	0.0622	0.146
Echinococcus granulosus	cyclin b3	0.0033	0.0243	0.0285
Entamoeba histolytica	protein kinase, putative	0.0037	0.0337	0.0653
Echinococcus granulosus	proto oncogene tyrosine protein kinase LCK	0.0052	0.0622	0.0728
Trichomonas vaginalis	CMGC family protein kinase	0.0047	0.0531	0.2564
Brugia malayi	Immunoglobulin I-set domain containing protein	0.0051	0.0606	0.1766
Leishmania major	CYC2-like cyclin, putative,cyclin 6, putative	0.0052	0.0641	1
Trypanosoma cruzi	cdc2-related kinase 1	0.0047	0.0531	0.2155
Echinococcus multilocularis	tyrosine protein kinase Srms	0.0045	0.0481	0.1129
Echinococcus multilocularis	cyclin dependent kinase 6	0.0178	0.3181	0.7466
Loa Loa (eye worm)	CMGC/CDK/CDC2 protein kinase	0.0047	0.0531	0.032
Loa Loa (eye worm)	hypothetical protein	0.0051	0.0606	0.0397
Echinococcus granulosus	cyclins	0.0033	0.0243	0.0285
Echinococcus multilocularis	cyclin B3 1	0.0033	0.0243	0.0571
Echinococcus multilocularis	basement membrane specific heparan sulfate	0.0051	0.0606	0.1423
Entamoeba histolytica	phosphatidylinositol 3-kinase, putative	0.0103	0.1671	1
Loa Loa (eye worm)	TK protein kinase	0.0037	0.0337	0.0121
Brugia malayi	Cyclin, N-terminal domain containing protein	0.0052	0.0641	0.1933
Brugia malayi	cell division control protein 2 homolog	0.0047	0.0531	0.1398
Trypanosoma cruzi	cyclin, putative	0.0052	0.0641	0.2911
Schistosoma mansoni	nephrin	0.0056	0.0721	0.1751
Echinococcus granulosus	cyclin dependent kinase 1	0.0047	0.0531	0.0621
Echinococcus granulosus	phosphatidylinositol 4 phosphate 3 kinase C2	0.0067	0.0934	0.1093
Entamoeba histolytica	cell division protein kinase 2, putative	0.0047	0.0531	0.2014
Loa Loa (eye worm)	hypothetical protein	0.0051	0.0606	0.0397
Echinococcus granulosus	tyrosine protein kinase Blk	0.0045	0.0481	0.0563
Trypanosoma cruzi	cyclin, putative	0.0052	0.0641	0.2911
Schistosoma mansoni	Neurotrimin precursor (hNT)	0.0051	0.0606	0.1473
Echinococcus granulosus	3'partial\|tyrosine protein kinase Fgr	0.0052	0.0622	0.0728
Loa Loa (eye worm)	TK/KIN16 protein kinase	0.0065	0.0886	0.0683
Entamoeba histolytica	phosphatidylinositol 3-kinase, putative	0.0035	0.028	0.0254
Trypanosoma brucei	cdc2-related kinase 1	0.0047	0.0531	0.6956
Brugia malayi	Tyrosine-protein kinase abl-1	0.0134	0.2299	1
Trichomonas vaginalis	cyclin D, putative	0.0033	0.0243	0.0688
Giardia lamblia	Cyclin A	0.0033	0.0243	0.3046
Schistosoma mansoni	serine/threonine protein kinase	0.0047	0.0531	0.129
Echinococcus granulosus	tyrosine protein kinase Fyn	0.0052	0.0622	0.0728
Schistosoma mansoni	tyrosine kinase	0.0052	0.0622	0.1512
Brugia malayi	Immunoglobulin I-set domain containing protein	0.0116	0.1932	0.8215
Trichomonas vaginalis	phosphatidylinositol 3-kinase catalytic subunit gamma, putative	0.0103	0.1671	1
Loa Loa (eye worm)	hypothetical protein	0.009	0.1397	0.1206
Brugia malayi	Fibronectin type III domain containing protein	0.0051	0.0606	0.1766
Trichomonas vaginalis	cyclins, putative	0.0052	0.0641	0.3281
Echinococcus multilocularis	tyrosine protein kinase Fyn	0.0052	0.0622	0.146
Echinococcus granulosus	cyclin B	0.0052	0.0641	0.0749
Loa Loa (eye worm)	phosphatidylinositol 3	0.0173	0.3084	0.293
Echinococcus multilocularis	cyclins	0.0033	0.0243	0.0571
Giardia lamblia	Hypothetical protein	0.0033	0.0243	0.3046
Echinococcus multilocularis	tyrosine protein kinase Fgr	0.0052	0.0622	0.146
Echinococcus multilocularis	cyclins	0.0033	0.0243	0.0571
Trichomonas vaginalis	conserved hypothetical protein	0.0033	0.0243	0.0688
Echinococcus granulosus	defective proboscis extension response	0.0051	0.0606	0.0709
Trichomonas vaginalis	CMGC family protein kinase	0.0047	0.0531	0.2564
Brugia malayi	Cyclin, N-terminal domain containing protein	0.0052	0.0641	0.1933
Echinococcus multilocularis	G2:mitotic specific cyclin B3	0.0033	0.0243	0.0571
Trichomonas vaginalis	cyclin D, putative	0.0033	0.0243	0.0688
Giardia lamblia	Kinase, CMGC CDK	0.0047	0.0531	0.8077
Echinococcus multilocularis	tyrosine protein kinase Fyn	0.0052	0.0622	0.146
Loa Loa (eye worm)	hypothetical protein	0.0051	0.0606	0.0397
Echinococcus granulosus	tyrosine protein kinase Fyn	0.0052	0.0622	0.0728
Echinococcus granulosus	cyclin B3 1	0.0033	0.0243	0.0285
Echinococcus multilocularis	tyrosine protein kinase Src42A	0.0052	0.0622	0.146
Trichomonas vaginalis	phosphatidylinositol 3-kinase catalytic subunit alpha, beta, delta, putative	0.0071	0.1016	0.5729
Echinococcus granulosus	roundabout 2	0.0064	0.0866	0.1013
Schistosoma mansoni	tyrosine kinase	0.0224	0.4116	1
Loa Loa (eye worm)	hypothetical protein	0.0064	0.0866	0.0663
Echinococcus multilocularis	tyrosine protein kinase ABL1	0.0231	0.4261	1
Leishmania major	cyclin	0.0052	0.0641	1
Trichomonas vaginalis	phosphatidylinositol 3-kinase class, putative	0.0071	0.1016	0.5729
Trypanosoma cruzi	phosphatidylinositol 3-kinase 2, putative	0.0103	0.1671	1
Brugia malayi	phosphoinositide 3'-hydroxykinase p110-alpha subunit, putative	0.0091	0.1421	0.573
Schistosoma mansoni	phosphatidylinositol-45-bisphosphate 3-kinase catalytic subunit alpha PI3K	0.0035	0.028	0.068
Loa Loa (eye worm)	SRC-1	0.0052	0.0622	0.0413
Trichomonas vaginalis	cyclins, putative	0.0052	0.0641	0.3281
Echinococcus multilocularis	tyrosine protein kinase Blk	0.0045	0.0481	0.1129
Brugia malayi	hypothetical protein	0.0051	0.0606	0.1766
Brugia malayi	protein-tyrosine kinase	0.0045	0.0481	0.1157
Entamoeba histolytica	phosphatidylinositol 3-kinase, putative	0.0035	0.028	0.0254
Echinococcus multilocularis	tyrosine protein kinase Src64B	0.0052	0.0622	0.146
Loa Loa (eye worm)	TK/ABL protein kinase	0.0231	0.4261	0.4133
Echinococcus granulosus	phosphatidylinositol 45 bisphosphate 3 kinase	0.0194	0.3511	0.4107
Echinococcus granulosus	tyrosine protein kinase ABL1	0.0231	0.4261	0.4983
Echinococcus multilocularis	basic fibroblast growth factor receptor 1 A	0.0111	0.1818	0.4267
Echinococcus granulosus	tyrosine protein kinase HCK	0.0037	0.0337	0.0394
Loa Loa (eye worm)	hypothetical protein	0.0051	0.0606	0.0397
Schistosoma mansoni	serine/threonine protein kinase	0.0178	0.3181	0.7728
Trypanosoma cruzi	cdc2-related kinase 3	0.0047	0.0531	0.2155
Trypanosoma cruzi	cdc2-related kinase 3	0.0047	0.0531	0.2155
Trichomonas vaginalis	cyclin B, putative	0.0033	0.0243	0.0688
Trichomonas vaginalis	cyclin B3, putative	0.0033	0.0243	0.0688
Schistosoma mansoni	cyclin B	0.0052	0.0641	0.1557
Echinococcus multilocularis	cyclin b3	0.0033	0.0243	0.0571
Trypanosoma cruzi	phosphatidylinositol 3-kinase 2, putative	0.0103	0.1671	1
Echinococcus granulosus	neuroglian	0.0056	0.0721	0.0843
Echinococcus granulosus	tyrosine protein kinase Src42A	0.0038	0.0347	0.0406
Echinococcus multilocularis	tyrosine protein kinase HCK	0.0037	0.0337	0.079
Schistosoma mansoni	cyclins	0.0033	0.0243	0.0591
Giardia lamblia	Phosphoinositide-3-kinase, catalytic, alpha polypeptide	0.005	0.0589	0.9097
Trichomonas vaginalis	phosphatidylinositol 3-kinase class, putative	0.0035	0.028	0.0925
Echinococcus multilocularis	cyclin dependent kinase 1	0.0047	0.0531	0.1246
Trichomonas vaginalis	cyclins, putative	0.0033	0.0243	0.0688
Echinococcus granulosus	neurotracting:lsamp:neurotrimin:obcam	0.0058	0.0752	0.088
Echinococcus multilocularis	cyclin B	0.0052	0.0641	0.1504
Echinococcus multilocularis	cyclin dependent kinase	0.0047	0.0531	0.1246
Loa Loa (eye worm)	TK protein kinase	0.0045	0.0481	0.0269
Onchocerca volvulus		0.0052	0.0641	0.5
Echinococcus granulosus	fibroblast growth factor receptor 4	0.0111	0.1818	0.2126
Loa Loa (eye worm)	hypothetical protein	0.0036	0.0317	0.0101
Echinococcus granulosus	basic fibroblast growth factor receptor 1 A	0.0111	0.1818	0.2126
Echinococcus granulosus	cyclin dependent kinase 6	0.0178	0.3181	0.3721
Trichomonas vaginalis	phopsphatidylinositol 3-kinase, drosophila, putative	0.0103	0.1671	1
Echinococcus multilocularis	cyclin dependent kinase 1	0.0047	0.0531	0.1246
Echinococcus granulosus	cyclins	0.0033	0.0243	0.0285
Echinococcus multilocularis	roundabout 2	0.0064	0.0866	0.2033
Brugia malayi	Phosphatidylinositol 3- and 4-kinase family protein	0.0035	0.028	0.0177
Echinococcus multilocularis	fibroblast growth factor receptor 4	0.0111	0.1818	0.4267
Echinococcus granulosus	tyrosine kinase\|tyrosine protein kinase Fyn	0.0045	0.0481	0.0563
Schistosoma mansoni	cell adhesion molecule	0.0058	0.0752	0.1827
Brugia malayi	Phosphatidylinositol 3- and 4-kinase family protein	0.0103	0.1671	0.6942
Trichomonas vaginalis	cyclin B, putative	0.0052	0.0641	0.3281
Brugia malayi	SRC-1	0.0052	0.0622	0.1843
Trichomonas vaginalis	CMGC family protein kinase	0.0047	0.0531	0.2564
Brugia malayi	Tyrosine-protein kinase abl-1	0.0104	0.1683	0.7002
Brugia malayi	Immunoglobulin I-set domain containing protein	0.0065	0.0886	0.3125
Echinococcus multilocularis	tyrosine protein kinase Abl	0.0104	0.1683	0.395
Echinococcus multilocularis	phosphatidylinositol 4 phosphate 3 kinase C2	0.0067	0.0934	0.2193
Trichomonas vaginalis	cyclin A, putative	0.0052	0.0641	0.3281
Echinococcus granulosus	tyrosine kinase	0.0045	0.0481	0.0563
Echinococcus granulosus	macrophage colony stimulating factor 1 receptor	0.0444	0.855	1
Trichomonas vaginalis	cyclin B, putative	0.0052	0.0641	0.3281
Schistosoma mansoni	cyclin B3	0.0033	0.0243	0.0591
Entamoeba histolytica	cell division protein kinase 2, putative	0.0047	0.0531	0.2014
Loa Loa (eye worm)	hypothetical protein	0.0045	0.0492	0.028
Schistosoma mansoni	phosphatidylinositol-45-bisphosphate 3-kinase catalytic subunit alpha PI3K	0.0194	0.3511	0.8531
Echinococcus granulosus	cyclin dependent kinase 5	0.0047	0.0531	0.0621
Loa Loa (eye worm)	CMGC/CDK/CDC2 protein kinase	0.0047	0.0531	0.032
Trichomonas vaginalis	cyclin B, putative	0.0052	0.0641	0.3281
Entamoeba histolytica	cyclin, putative	0.0052	0.0641	0.2784
Trichomonas vaginalis	cyclins, putative	0.0052	0.0641	0.3281
Giardia lamblia	G2/mitotic-specific cyclin B	0.0052	0.0641	1
Schistosoma mansoni	serine/threonine protein kinase	0.0047	0.0531	0.129
Echinococcus granulosus	cyclins	0.0033	0.0243	0.0285
Loa Loa (eye worm)	CMGC/CDK/CDK5 protein kinase	0.0047	0.0531	0.032
Trypanosoma brucei	cdc2-related kinase 3	0.0047	0.0531	0.6956
Echinococcus multilocularis	tyrosine protein kinase Fyn	0.0045	0.0481	0.1129
Echinococcus multilocularis	tyrosine protein kinase lyn tyrosine protein kinase blk	0.0052	0.0622	0.146
Trichomonas vaginalis	cyclins, putative	0.0052	0.0641	0.3281
Entamoeba histolytica	hypothetical protein	0.0082	0.1244	0.7009
Giardia lamblia	Kinase, CMGC CDK	0.0047	0.0531	0.8077
Schistosoma mansoni	vesicular amine transporter	0.0051	0.0606	0.1473
Trypanosoma cruzi	CYC2-like cyclin, putative	0.0052	0.0641	0.2911
Echinococcus granulosus	Immunoglobulin	0.0051	0.0606	0.0709
Echinococcus granulosus	G2:mitotic specific cyclin B3	0.0033	0.0243	0.0285
Entamoeba histolytica	phosphatidylinositol 3-kinase 1, putative	0.01	0.1609	0.9566
Echinococcus multilocularis	Immunoglobulin	0.0051	0.0606	0.1423
Trypanosoma brucei	mitotic cyclin 6	0.0052	0.0641	1
Echinococcus granulosus	cyclins	0.0033	0.0243	0.0285
Echinococcus multilocularis	cyclins	0.0033	0.0243	0.0571
Echinococcus granulosus	tyrosine protein kinase Src64B	0.0052	0.0622	0.0728
Loa Loa (eye worm)	hypothetical protein	0.0064	0.0866	0.0663

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 877125