TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 487.012 | Formula: C28H23ClN2O2S
H donors: 1 H acceptors: 2 LogP: 5.16 Rotable bonds: 1
Rule of 5 violations (Lipinski): 1
SMILES: Cc1ccc(cc1)[C@H]1[C@@H]2CSCN2[C@]2([C@]31Cc1c(C3=O)cccc1)C(=O)Nc1c2cc(Cl)cc1
InChi: 1S/C28H23ClN2O2S/c1-16-6-8-17(9-7-16)24-23-14-34-15-31(23)28(21-12-19(29)10-11-22(21)30-26(28)33)27(24)13-18-4-2-3-5-20(18)25(27)32/h2-12,23-24H,13-15H2,1H3,(H,30,33)/t23-,24-,27-,28-/m0/s1
InChiKey: VPYNTGMNUVMWLJ-LSGCGUROSA-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)	phosphatidylinositol kinase	0.0214	0.0115	0.1583
Trichomonas vaginalis	phopsphatidylinositol 3-kinase, drosophila, putative	0.0596	0.0384	0.4396
Loa Loa (eye worm)	phosphatidylinositol 3	0.1082	0.0728	1
Echinococcus granulosus	phosphatidylinositol 45 bisphosphate 3 kinase	0.0763	0.0503	0.0392
Trichomonas vaginalis	phosphatidylinositol 4-kinase, putative	0.0264	0.015	0.0574
Leishmania major	phosphatidylinositol kinase, putative	0.0214	0.0115	0.0318
Trypanosoma cruzi	phosphatidylinositol kinase, putative	0.0214	0.0115	0.0332
Giardia lamblia	Phosphoinositide-3-kinase, class 3	0.0277	0.0159	0.0716
Leishmania major	hypothetical protein, conserved	0.5179	0.3619	1
Entamoeba histolytica	phosphatidylinositol 4-kinase, putative	0.0264	0.015	0.0574
Echinococcus granulosus	phosphatidylinositol 4 phosphate 3 kinase C2	0.0422	0.0261	0.0148
Brugia malayi	Phosphatidylinositol 3- and 4-kinase family protein	0.0214	0.0115	0.1553
Trichomonas vaginalis	PIKK family atypical protein kinase	0.1062	0.0714	0.9769
Schistosoma mansoni	phosphatidylinositol 4-kinase	0.0264	0.015	0.0561
Trypanosoma cruzi	phosphatidylinositol 3-kinase, putative	0.06	0.0388	0.1118
Schistosoma mansoni	phosphatidylinositol-45-bisphosphate 3-kinase catalytic subunit alpha PI3K	0.0763	0.0503	0.6185
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0629	0.0408	0.4782
Trichomonas vaginalis	PIKK family atypical protein kinase	0.1064	0.0715	0.9795
Loa Loa (eye worm)	phosphatidylinositol 3	0.0214	0.0115	0.1583
Echinococcus granulosus	phosphatidylinositol 3 and 4 kinase	0.1102	0.0742	0.0634
Leishmania major	phosphatidylinositol 4-kinase, putative	0.0214	0.0115	0.0318
Brugia malayi	Cytochrome P450 family protein	0.0108	0.004	0.0542
Entamoeba histolytica	phosphatidylinositol 3-kinase, putative	0.0596	0.0384	0.4396
Mycobacterium ulcerans	cytochrome P450 185A4 Cyp185A4	0.0051	0	0.5
Leishmania major	phosphatidylinositol 3-related kinase, putative	0.1064	0.0715	0.1974
Echinococcus multilocularis	FKBP12 rapamycin complex associated protein	0.1082	0.0728	0.062
Loa Loa (eye worm)	phosphatidylinositol 3	0.0701	0.0459	0.6305
Trypanosoma cruzi	phosphatidylinositol 3-kinase, putative	0.0112	0.0043	0.0124
Echinococcus multilocularis	serine protein kinase ATM	0.0615	0.0398	0.0286
Trypanosoma brucei	phosphatidylinositol 3-kinase, putative	0.1053	0.0707	0.9719
Trypanosoma brucei	phosphatidylinositol kinase related protein, putative	0.0615	0.0398	0.5464
Echinococcus granulosus	phosphatidylinositol 3 kinase catalytic subunit	0.0264	0.015	0.0036
Trichomonas vaginalis	PIKK family atypical protein kinase	0.06	0.0388	0.4447
Trichomonas vaginalis	PIKK family atypical protein kinase	0.1073	0.0721	0.9897
Trichomonas vaginalis	phosphatidylinositol 3-kinase catalytic subunit alpha, beta, delta, putative	0.0501	0.0317	0.3297
Trypanosoma brucei	phosphatidylinositol 4-kinase alpha, putative	0.0264	0.015	0.2066
Entamoeba histolytica	hypothetical protein	0.0615	0.0398	0.4611
Trichomonas vaginalis	conserved hypothetical protein	0.0386	0.0236	0.1976
Trichomonas vaginalis	conserved hypothetical protein	0.0453	0.0283	0.2747
Entamoeba histolytica	phosphatidylinositol 3-kinase, putative	0.036	0.0218	0.1672
Echinococcus granulosus	FKBP12 rapamycin complex associated protein	0.1082	0.0728	0.062
Brugia malayi	Phosphatidylinositol 3- and 4-kinase family protein	0.06	0.0388	0.5226
Trypanosoma cruzi	target of rapamycin kinase 3	0.1073	0.0721	0.208
Trypanosoma brucei	target of rapamycin kinase 3, putative	0.1073	0.0721	0.9914
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0611	0.0395	0.4567
Trichomonas vaginalis	PIKK family atypical protein kinase	0.1073	0.0721	0.9897
Loa Loa (eye worm)	phosphatidylinositol 3	0.0214	0.0115	0.1583
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0386	0.0236	0.1976
Trypanosoma cruzi	phosphatidylinositol kinase related protein, putative	0.0229	0.0125	0.0361
Trichomonas vaginalis	phosphatidylinositol 3-kinase class, putative	0.0326	0.0194	0.129
Trichomonas vaginalis	PIKK family atypical protein kinase	0.1082	0.0728	1
Entamoeba histolytica	phosphatidylinositol3-kinaseTor2, putative	0.1082	0.0728	1
Trypanosoma cruzi	phosphatidylinositol 3-related kinase, putative	0.1102	0.0742	0.2139
Loa Loa (eye worm)	hypothetical protein	0.0667	0.0435	0.5975
Echinococcus multilocularis	serine:threonine protein kinase SMG1	0.06	0.0388	0.0276
Loa Loa (eye worm)	phosphatidylinositol 3	0.0112	0.0043	0.0589
Brugia malayi	FAT domain containing protein	0.0453	0.0283	0.3822
Brugia malayi	Phosphatidylinositol 3- and 4-kinase family protein	0.0214	0.0115	0.1553
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0621	0.0402	0.4679
Giardia lamblia	GTOR	0.1082	0.0728	1
Trypanosoma cruzi	Phosphatidylinositol 3-kinase tor1	0.1082	0.0728	0.2098
Trypanosoma brucei	FAT domain/Rapamycin binding domain/Phosphatidylinositol 3- and 4-kinase, putative	0.0676	0.0441	0.6062
Echinococcus multilocularis	PIK kinase, FAT and Armadillo domain containing protein	0.0453	0.0283	0.017
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0618	0.04	0.4653
Trichomonas vaginalis	phosphatidylinositol kinase, putative	0.0596	0.0384	0.4396
Trypanosoma cruzi	phosphatidylinositol 3-kinase, putative	0.0214	0.0115	0.0332
Schistosoma mansoni	hypothetical protein	0.0453	0.0283	0.2686
Plasmodium falciparum	phosphatidylinositol 3-kinase	0.0264	0.015	1
Toxoplasma gondii	phosphatidylinositol 3- and 4-kinase	0.0264	0.015	0.0581
Echinococcus multilocularis	Zinc finger, PHD finger	0.0264	0.015	0.0036
Loa Loa (eye worm)	hypothetical protein	0.0214	0.0115	0.1583
Entamoeba histolytica	FKBP-rapamycin associated protein (FRAP), putative	0.1082	0.0728	1
Trichomonas vaginalis	PIKK family atypical protein kinase	0.1062	0.0714	0.9769
Loa Loa (eye worm)	phosphatidylinositol 4-kinase type 3 alpha isoform 1	0.0264	0.015	0.2066
Leishmania major	hypothetical protein, unknown function	0.0214	0.0115	0.0318
Schistosoma mansoni	fkbp-rapamycin associated protein	0.06	0.0388	0.4348
Trypanosoma cruzi	Phosphatidylinositol 3-kinase tor2	0.1082	0.0728	0.2098
Trichomonas vaginalis	PIKK family atypical protein kinase	0.1071	0.072	0.9871
Onchocerca volvulus		0.0214	0.0115	0.5
Trichomonas vaginalis	PIKK family atypical protein kinase	0.1073	0.0721	0.9897
Trichomonas vaginalis	PIKK family atypical protein kinase	0.1064	0.0715	0.9795
Brugia malayi	phosphoinositide 3'-hydroxykinase p110-alpha subunit, putative	0.0168	0.0082	0.1106
Leishmania major	target of rapamycin kinase (TOR) kinase 3	0.1073	0.0721	0.1993
Entamoeba histolytica	phosphatidylinositol 3-kinase 1, putative	0.0381	0.0233	0.1924
Trichomonas vaginalis	PIKK family atypical protein kinase	0.1062	0.0714	0.9768
Brugia malayi	Phosphatidylinositol 3- and 4-kinase family protein	0.0214	0.0115	0.1553
Toxoplasma gondii	phosphatidylinositol 3- and 4-kinase	0.0264	0.015	0.0581
Brugia malayi	Phosphatidylinositol 3- and 4-kinase family protein	0.0596	0.0384	0.5183
Trichomonas vaginalis	PIKK family atypical protein kinase	0.1062	0.0714	0.9768
Echinococcus multilocularis	phosphatidylinositol 4,5 bisphosphate 3 kinase	0.0763	0.0503	0.0392
Brugia malayi	Phosphatidylinositol 3- and 4-kinase family protein	0.1102	0.0742	1
Echinococcus granulosus	serine protein kinase ATM	0.0615	0.0398	0.0286
Trypanosoma brucei	Phosphatidylinositol 3-kinase tor1	0.1082	0.0728	1
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0223	0.0121	0.0102
Trichomonas vaginalis	PIKK family atypical protein kinase	0.1062	0.0714	0.9769
Loa Loa (eye worm)	cytochrome P450 family protein	0.0108	0.004	0.0552
Toxoplasma gondii	FATC domain-containing protein	0.0615	0.0398	0.4671
Trichomonas vaginalis	PIKK family atypical protein kinase	0.1062	0.0714	0.9769
Trichomonas vaginalis	PIKK family atypical protein kinase	0.1062	0.0714	0.9768
Trichomonas vaginalis	PIKK family atypical protein kinase	0.1053	0.0707	0.9666
Toxoplasma gondii	target of rapamycin (TOR), putative	0.1071	0.072	1
Brugia malayi	Phosphatidylinositol 3- and 4-kinase family protein	0.0615	0.0398	0.5361
Schistosoma mansoni	phosphatidylinositol-45-bisphosphate 3-kinase catalytic subunit alpha PI3K	0.0326	0.0194	0.1261
Trichomonas vaginalis	phosphatidylinositol 3-kinase catalytic subunit alpha, beta, delta, putative	0.0326	0.0194	0.129
Brugia malayi	Phosphatidylinositol 3- and 4-kinase family protein	0.1082	0.0728	0.9811
Trypanosoma cruzi	phosphatidylinositol kinase related protein, putative	0.04	0.0246	0.071
Onchocerca volvulus		0.0214	0.0115	0.5
Trypanosoma brucei	phosphatidylinositol 3-kinase, putative	0.0326	0.0194	0.2669
Echinococcus multilocularis	DNA dependent protein kinase catalytic subunit	1.4219	1	1
Trichomonas vaginalis	conserved hypothetical protein	0.0667	0.0435	0.5218
Trichomonas vaginalis	PIKK family atypical protein kinase	0.1071	0.072	0.9871
Loa Loa (eye worm)	hypothetical protein	0.06	0.0388	0.5326
Plasmodium vivax	phosphatidylinositol 3-kinase, putative	0.0264	0.015	1
Trypanosoma cruzi	phosphatidylinositol 3-kinase 2, putative	0.0596	0.0384	0.1109
Trypanosoma brucei	phosphatidylinositol 3-kinase tor, putative	0.0232	0.0128	0.1756
Trichomonas vaginalis	PIKK family atypical protein kinase	0.1082	0.0728	1
Echinococcus granulosus	PIK kinase FAT and Armadillo domain containing protein	0.0453	0.0283	0.017
Trichomonas vaginalis	phosphatidylinositol kinase, putative	0.0326	0.0194	0.129
Trichomonas vaginalis	PIKK family atypical protein kinase	0.1071	0.072	0.9871
Loa Loa (eye worm)	phosphatidylinositol 3	0.0214	0.0115	0.1583
Trypanosoma brucei	phosphatidylinositol 3-related kinase, putative	0.1064	0.0715	0.982
Entamoeba histolytica	phosphatidylinositol 3-kinase, putative	0.0534	0.0341	0.3679
Loa Loa (eye worm)	hypothetical protein	0.0422	0.0261	0.3593
Entamoeba histolytica	Phosphatidylinositol 3- and 4-kinase family	0.0611	0.0395	0.4567
Trichomonas vaginalis	phosphatidylinositol 3-kinase class, putative	0.0501	0.0317	0.3297
Trichomonas vaginalis	PIKK family atypical protein kinase	0.1071	0.072	0.9871
Trypanosoma cruzi	phosphatidylinositol 4-kinase alpha, putative	0.0264	0.015	0.0434
Trichomonas vaginalis	PIKK family atypical protein kinase	0.1082	0.0728	1
Trichomonas vaginalis	PIKK family atypical protein kinase	0.1073	0.0721	0.9897
Echinococcus multilocularis	phosphatidylinositol 4 phosphate 3 kinase C2	0.0422	0.0261	0.0148
Trypanosoma cruzi	phosphatidylinositol 4-kinase, putative	0.0214	0.0115	0.0332
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0615	0.0398	0.4611
Loa Loa (eye worm)	phosphatidylinositol 3	0.0214	0.0115	0.1583
Loa Loa (eye worm)	hypothetical protein	0.0453	0.0283	0.3895
Trypanosoma cruzi	phosphatidylinositol 3-kinase vps34-like	0.0326	0.0194	0.056
Entamoeba histolytica	protein kinase rad3, putative	0.06	0.0388	0.4447
Loa Loa (eye worm)	hypothetical protein	0.0174	0.0087	0.1193
Leishmania major	target of rapamycin (TOR) kinase 2, putative	0.1082	0.0728	0.2011
Trichomonas vaginalis	PIKK family atypical protein kinase	0.1053	0.0707	0.9666
Trypanosoma cruzi	phosphatidylinositol kinase related protein, putative	0.0615	0.0398	0.1147
Echinococcus granulosus	serine:threonine protein kinase SMG1	0.06	0.0388	0.0276
Trypanosoma brucei	phosphatidylinositol 4-kinase, putative	0.1082	0.0728	1
Entamoeba histolytica	phosphatidylinositol 3-kinase, putative	0.0326	0.0194	0.129
Entamoeba histolytica	phosphatidylinositol-4,5-bisphosphate 3-kinase, putative	0.0264	0.015	0.0574
Trichomonas vaginalis	PIKK family atypical protein kinase	0.1064	0.0715	0.9786
Trypanosoma brucei	phosphatidylinositol 3-kinase catalytic subunit, putative	0.0214	0.0115	0.1583
Schistosoma mansoni	ataxia telangiectasia mutated (atm)	0.0615	0.0398	0.4508
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0618	0.04	0.4653
Trypanosoma cruzi	phosphatidylinositol 4-kinase, putative	0.0214	0.0115	0.0332
Trichomonas vaginalis	PIKK family atypical protein kinase	0.1071	0.072	0.9871
Trichomonas vaginalis	phosphatidylinositol 3-kinase catalytic subunit gamma, putative	0.0596	0.0384	0.4396
Trichomonas vaginalis	PIKK family atypical protein kinase	0.1073	0.0721	0.9897
Trypanosoma cruzi	phosphatidylinositol 3-related kinase, putative	0.1102	0.0742	0.2139
Mycobacterium tuberculosis	Conserved hypothetical protein	0.0214	0.0115	0.5
Brugia malayi	Phosphatidylinositol 3- and 4-kinase family protein	0.0326	0.0194	0.2618
Trypanosoma cruzi	phosphatidylinositol 4-kinase alpha, putative	0.0264	0.015	0.0434
Leishmania major	phosphatidylinositol 4-kinase alpha, putative	0.0264	0.015	0.0415
Loa Loa (eye worm)	phosphatidylinositol 3	0.1064	0.0715	0.982
Leishmania major	phosphatidylinositol kinase related protein, putative	0.0229	0.0125	0.0346
Leishmania major	target of rapamycin (TOR) kinase 1, putative	0.1082	0.0728	0.2011
Giardia lamblia	Phosphoinositide-3-kinase, catalytic, alpha polypeptide	0.0438	0.0273	0.2581
Loa Loa (eye worm)	hypothetical protein	0.04	0.0246	0.3384
Trypanosoma brucei	phosphatidylinositol 4-kinase, putative	0.0214	0.0115	0.1583
Echinococcus granulosus	phosphatidylinositol 4 kinase alpha	0.0264	0.015	0.0036
Echinococcus multilocularis	phosphatidylinositol 3 and 4 kinase	0.1102	0.0742	0.0634
Echinococcus multilocularis	phosphatidylinositol 4 kinase alpha	0.0264	0.015	0.0036
Leishmania major	phosphatidylinositol 3-kinase, putative	0.1053	0.0707	0.1954
Schistosoma mansoni	ataxia telangiectasia mutated (atm)-related	0.1082	0.0728	0.9777
Brugia malayi	phosphatidylinositol 4-kinase, catalytic, alpha polypeptide	0.0264	0.015	0.2027
Schistosoma mansoni	phosphatidylinositol-45-bisphosphate 3-kinase catalytic subunit alpha PI3K	0.0264	0.015	0.0561
Trypanosoma cruzi	hypothetical protein, conserved	0.4965	0.3468	1
Trichomonas vaginalis	phosphatidylinositol kinase, putative	0.0264	0.015	0.0574
Entamoeba histolytica	phosphatidylinositol 3-kinase, putative	0.0326	0.0194	0.129
Trichomonas vaginalis	PIKK family atypical protein kinase	0.1053	0.0707	0.9666
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0618	0.04	0.4653
Schistosoma mansoni	phosphatidylinositol 3-and 4-kinase	0.1102	0.0742	1
Trichomonas vaginalis	PIKK family atypical protein kinase	0.1071	0.072	0.9871
Entamoeba histolytica	hypothetical protein	0.0534	0.0341	0.3679
Toxoplasma gondii	non-specific serine/threonine protein kinase	0.0667	0.0435	0.5287
Trichomonas vaginalis	phosphatidylinositol 3-kinase class, putative	0.0264	0.015	0.0574
Mycobacterium leprae	conserved hypothetical protein	0.0214	0.0115	0.5
Trypanosoma cruzi	phosphatidylinositol 3-kinase 2, putative	0.0596	0.0384	0.1109
Trichomonas vaginalis	PIKK family atypical protein kinase	0.1053	0.0707	0.9666
Brugia malayi	Phosphatidylinositol 3- and 4-kinase family protein	0.0422	0.0261	0.3525
Leishmania major	phosphatidylinositol 3-kinase, putative	0.0264	0.015	0.0415
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0687	0.0449	0.545
Trichomonas vaginalis	PIKK family atypical protein kinase	0.1071	0.072	0.9871

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: CHEMBL1630922

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 1467416