TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 490.976 | Formula: C27H20ClFN2O2S
H donors: 1 H acceptors: 2 LogP: 4.9 Rotable bonds: 1
Rule of 5 violations (Lipinski): 1
SMILES: Fc1ccc(cc1)[C@H]1[C@@H]2CSCN2[C@]2([C@]31Cc1c(C3=O)cccc1)C(=O)Nc1c2cc(Cl)cc1
InChi: 1S/C27H20ClFN2O2S/c28-17-7-10-21-20(11-17)27(25(33)30-21)26(12-16-3-1-2-4-19(16)24(26)32)23(22-13-34-14-31(22)27)15-5-8-18(29)9-6-15/h1-11,22-23H,12-14H2,(H,30,33)/t22-,23-,26-,27-/m0/s1
InChiKey: RKSWCJLBMVLYHN-ZCUSHOGSSA-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
Echinococcus multilocularis	phosphatidylinositol 4,5 bisphosphate 3 kinase	0.0835	0.0488	0.0377
Brugia malayi	Phosphatidylinositol 3- and 4-kinase family protein	0.1236	0.074	1
Trypanosoma brucei	Phosphatidylinositol 3-kinase tor1	0.1215	0.0727	1
Echinococcus granulosus	serine protein kinase ATM	0.069	0.0397	0.0285
Trichomonas vaginalis	PIKK family atypical protein kinase	0.025	0.0122	0.0099
Trichomonas vaginalis	PIKK family atypical protein kinase	0.1193	0.0713	0.9777
Loa Loa (eye worm)	cytochrome P450 family protein	0.0117	0.0039	0.0532
Toxoplasma gondii	FATC domain-containing protein	0.069	0.0397	0.4669
Trichomonas vaginalis	PIKK family atypical protein kinase	0.1193	0.0713	0.9777
Brugia malayi	Phosphatidylinositol 3- and 4-kinase family protein	0.024	0.0116	0.1567
Entamoeba histolytica	phosphatidylinositol 3-kinase 1, putative	0.0413	0.0224	0.1769
Toxoplasma gondii	phosphatidylinositol 3- and 4-kinase	0.0294	0.015	0.056
Brugia malayi	Phosphatidylinositol 3- and 4-kinase family protein	0.0653	0.0375	0.5063
Trichomonas vaginalis	PIKK family atypical protein kinase	0.1193	0.0713	0.9777
Trypanosoma cruzi	phosphatidylinositol kinase related protein, putative	0.0449	0.0247	0.0711
Onchocerca volvulus		0.024	0.0116	0.5
Trypanosoma brucei	phosphatidylinositol 3-kinase, putative	0.0362	0.0192	0.2641
Echinococcus multilocularis	DNA dependent protein kinase catalytic subunit	1.6013	1	1
Trichomonas vaginalis	conserved hypothetical protein	0.075	0.0435	0.5225
Trichomonas vaginalis	PIKK family atypical protein kinase	0.1193	0.0713	0.9777
Trichomonas vaginalis	PIKK family atypical protein kinase	0.1193	0.0713	0.9777
Trichomonas vaginalis	PIKK family atypical protein kinase	0.1183	0.0707	0.9678
Trichomonas vaginalis	PIKK family atypical protein kinase	0.1203	0.0719	0.9876
Brugia malayi	Phosphatidylinositol 3- and 4-kinase family protein	0.069	0.0397	0.5371
Schistosoma mansoni	phosphatidylinositol-45-bisphosphate 3-kinase catalytic subunit alpha PI3K	0.0362	0.0192	0.1216
Trichomonas vaginalis	phosphatidylinositol 3-kinase catalytic subunit alpha, beta, delta, putative	0.0362	0.0192	0.1243
Brugia malayi	Phosphatidylinositol 3- and 4-kinase family protein	0.1215	0.0727	0.9818
Trichomonas vaginalis	phosphatidylinositol kinase, putative	0.0362	0.0192	0.1243
Trichomonas vaginalis	PIKK family atypical protein kinase	0.1203	0.0719	0.9876
Loa Loa (eye worm)	phosphatidylinositol 3	0.024	0.0116	0.1596
Leishmania major	phosphatidylinositol 3-related kinase, putative	0.1195	0.0714	0.1972
Loa Loa (eye worm)	hypothetical protein	0.0465	0.0256	0.353
Entamoeba histolytica	phosphatidylinositol 3-kinase, putative	0.0586	0.0333	0.3547
Loa Loa (eye worm)	hypothetical protein	0.0674	0.0388	0.5338
Trichomonas vaginalis	PIKK family atypical protein kinase	0.1203	0.0719	0.9876
Plasmodium vivax	phosphatidylinositol 3-kinase, putative	0.0294	0.015	1
Trypanosoma cruzi	phosphatidylinositol 3-kinase 2, putative	0.0653	0.0375	0.108
Trypanosoma brucei	phosphatidylinositol 3-kinase tor, putative	0.026	0.0128	0.1762
Trichomonas vaginalis	PIKK family atypical protein kinase	0.1215	0.0727	1
Echinococcus granulosus	PIK kinase FAT and Armadillo domain containing protein	0.0509	0.0284	0.017
Trypanosoma cruzi	phosphatidylinositol 4-kinase, putative	0.024	0.0116	0.0334
Trichomonas vaginalis	PIKK family atypical protein kinase	0.069	0.0397	0.4611
Loa Loa (eye worm)	phosphatidylinositol 3	0.024	0.0116	0.1596
Loa Loa (eye worm)	hypothetical protein	0.0509	0.0284	0.3913
Entamoeba histolytica	protein kinase rad3, putative	0.0674	0.0388	0.4453
Trypanosoma cruzi	phosphatidylinositol 3-kinase vps34-like	0.0362	0.0192	0.0553
Loa Loa (eye worm)	hypothetical protein	0.0189	0.0083	0.1148
Leishmania major	target of rapamycin (TOR) kinase 2, putative	0.1215	0.0727	0.2007
Entamoeba histolytica	Phosphatidylinositol 3- and 4-kinase family	0.0686	0.0395	0.4569
Trichomonas vaginalis	phosphatidylinositol 3-kinase class, putative	0.055	0.031	0.3178
Trichomonas vaginalis	PIKK family atypical protein kinase	0.1203	0.0719	0.9876
Trypanosoma cruzi	phosphatidylinositol 4-kinase alpha, putative	0.0294	0.015	0.0432
Trichomonas vaginalis	PIKK family atypical protein kinase	0.1215	0.0727	1
Echinococcus multilocularis	phosphatidylinositol 4 phosphate 3 kinase C2	0.0465	0.0256	0.0142
Trichomonas vaginalis	PIKK family atypical protein kinase	0.1205	0.072	0.9901
Trypanosoma brucei	phosphatidylinositol 3-kinase catalytic subunit, putative	0.024	0.0116	0.1596
Schistosoma mansoni	ataxia telangiectasia mutated (atm)	0.069	0.0397	0.4511
Trypanosoma cruzi	phosphatidylinositol 4-kinase, putative	0.024	0.0116	0.0334
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0694	0.04	0.4651
Trichomonas vaginalis	phosphatidylinositol 3-kinase catalytic subunit gamma, putative	0.0653	0.0375	0.4237
Trichomonas vaginalis	PIKK family atypical protein kinase	0.1205	0.072	0.9901
Trichomonas vaginalis	PIKK family atypical protein kinase	0.1203	0.0719	0.9876
Mycobacterium tuberculosis	Conserved hypothetical protein	0.024	0.0116	0.5
Trypanosoma cruzi	phosphatidylinositol 3-related kinase, putative	0.1236	0.074	0.2133
Brugia malayi	Phosphatidylinositol 3- and 4-kinase family protein	0.0362	0.0192	0.2593
Trypanosoma cruzi	phosphatidylinositol 4-kinase alpha, putative	0.0294	0.015	0.0432
Trichomonas vaginalis	PIKK family atypical protein kinase	0.1183	0.0707	0.9678
Trypanosoma cruzi	phosphatidylinositol kinase related protein, putative	0.069	0.0397	0.1146
Echinococcus granulosus	serine:threonine protein kinase SMG1	0.0674	0.0388	0.0275
Trichomonas vaginalis	PIKK family atypical protein kinase	0.1196	0.0714	0.9802
Entamoeba histolytica	phosphatidylinositol-4,5-bisphosphate 3-kinase, putative	0.0294	0.015	0.0553
Trypanosoma brucei	phosphatidylinositol 4-kinase, putative	0.1215	0.0727	1
Entamoeba histolytica	phosphatidylinositol 3-kinase, putative	0.0362	0.0192	0.1243
Echinococcus multilocularis	phosphatidylinositol 3 and 4 kinase	0.1236	0.074	0.0631
Echinococcus granulosus	phosphatidylinositol 4 kinase alpha	0.0294	0.015	0.0034
Echinococcus multilocularis	phosphatidylinositol 4 kinase alpha	0.0294	0.015	0.0034
Leishmania major	phosphatidylinositol 3-kinase, putative	0.1183	0.0707	0.1953
Schistosoma mansoni	ataxia telangiectasia mutated (atm)-related	0.1215	0.0727	0.9784
Schistosoma mansoni	phosphatidylinositol-45-bisphosphate 3-kinase catalytic subunit alpha PI3K	0.0294	0.015	0.0541
Brugia malayi	phosphatidylinositol 4-kinase, catalytic, alpha polypeptide	0.0294	0.015	0.2023
Loa Loa (eye worm)	phosphatidylinositol 3	0.1195	0.0714	0.9827
Leishmania major	phosphatidylinositol 4-kinase alpha, putative	0.0294	0.015	0.0414
Leishmania major	target of rapamycin (TOR) kinase 1, putative	0.1215	0.0727	0.2007
Leishmania major	phosphatidylinositol kinase related protein, putative	0.0256	0.0126	0.0347
Giardia lamblia	Phosphoinositide-3-kinase, catalytic, alpha polypeptide	0.0483	0.0268	0.2488
Loa Loa (eye worm)	hypothetical protein	0.0449	0.0247	0.3397
Trypanosoma brucei	phosphatidylinositol 4-kinase, putative	0.024	0.0116	0.1596
Trichomonas vaginalis	PIKK family atypical protein kinase	0.1183	0.0707	0.9678
Entamoeba histolytica	phosphatidylinositol 3-kinase, putative	0.0362	0.0192	0.1243
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0694	0.04	0.4651
Schistosoma mansoni	phosphatidylinositol 3-and 4-kinase	0.1236	0.074	1
Trypanosoma cruzi	hypothetical protein, conserved	0.5592	0.3469	1
Trichomonas vaginalis	phosphatidylinositol kinase, putative	0.0294	0.015	0.0553
Leishmania major	phosphatidylinositol 3-kinase, putative	0.0294	0.015	0.0414
Loa Loa (eye worm)	phosphatidylinositol 3	0.0767	0.0446	0.614
Trichomonas vaginalis	PIKK family atypical protein kinase	0.1203	0.0719	0.9876
Trichomonas vaginalis	PIKK family atypical protein kinase	0.1203	0.0719	0.9876
Toxoplasma gondii	non-specific serine/threonine protein kinase	0.075	0.0435	0.5291
Entamoeba histolytica	hypothetical protein	0.0586	0.0333	0.3547
Mycobacterium leprae	conserved hypothetical protein	0.024	0.0116	0.5
Trichomonas vaginalis	phosphatidylinositol 3-kinase class, putative	0.0294	0.015	0.0553
Trypanosoma cruzi	phosphatidylinositol 3-kinase 2, putative	0.0653	0.0375	0.108
Trichomonas vaginalis	PIKK family atypical protein kinase	0.1183	0.0707	0.9678
Brugia malayi	Phosphatidylinositol 3- and 4-kinase family protein	0.0465	0.0256	0.3466
Trichomonas vaginalis	phopsphatidylinositol 3-kinase, drosophila, putative	0.0653	0.0375	0.4237
Loa Loa (eye worm)	phosphatidylinositol 3	0.1215	0.0727	1
Echinococcus granulosus	phosphatidylinositol 45 bisphosphate 3 kinase	0.0835	0.0488	0.0377
Trichomonas vaginalis	phosphatidylinositol 4-kinase, putative	0.0294	0.015	0.0553
Leishmania major	phosphatidylinositol kinase, putative	0.024	0.0116	0.032
Loa Loa (eye worm)	phosphatidylinositol kinase	0.024	0.0116	0.1596
Brugia malayi	Phosphatidylinositol 3- and 4-kinase family protein	0.024	0.0116	0.1567
Trichomonas vaginalis	PIKK family atypical protein kinase	0.1193	0.0713	0.9777
Echinococcus granulosus	phosphatidylinositol 4 phosphate 3 kinase C2	0.0465	0.0256	0.0142
Schistosoma mansoni	phosphatidylinositol 4-kinase	0.0294	0.015	0.0541
Trypanosoma cruzi	phosphatidylinositol 3-kinase, putative	0.0674	0.0388	0.1118
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0706	0.0408	0.4775
Schistosoma mansoni	phosphatidylinositol-45-bisphosphate 3-kinase catalytic subunit alpha PI3K	0.0835	0.0488	0.5966
Giardia lamblia	Phosphoinositide-3-kinase, class 3	0.0308	0.0158	0.069
Trypanosoma cruzi	phosphatidylinositol kinase, putative	0.024	0.0116	0.0334
Leishmania major	hypothetical protein, conserved	0.5832	0.362	1
Entamoeba histolytica	phosphatidylinositol 4-kinase, putative	0.0294	0.015	0.0553
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0771	0.0449	0.5448
Trypanosoma cruzi	phosphatidylinositol 3-kinase, putative	0.0121	0.0041	0.0119
Echinococcus multilocularis	serine protein kinase ATM	0.069	0.0397	0.0285
Trypanosoma brucei	phosphatidylinositol 3-kinase, putative	0.1183	0.0707	0.9729
Trypanosoma brucei	phosphatidylinositol kinase related protein, putative	0.069	0.0397	0.5471
Loa Loa (eye worm)	phosphatidylinositol 3	0.024	0.0116	0.1596
Trypanosoma brucei	phosphatidylinositol 3-related kinase, putative	0.1195	0.0714	0.9827
Echinococcus granulosus	phosphatidylinositol 3 and 4 kinase	0.1236	0.074	0.0631
Leishmania major	phosphatidylinositol 4-kinase, putative	0.024	0.0116	0.032
Brugia malayi	Cytochrome P450 family protein	0.0117	0.0039	0.0522
Entamoeba histolytica	phosphatidylinositol 3-kinase, putative	0.0653	0.0375	0.4237
Mycobacterium ulcerans	cytochrome P450 185A4 Cyp185A4	0.0055	0	0.5
Trichomonas vaginalis	PIKK family atypical protein kinase	0.1196	0.0714	0.9802
Echinococcus multilocularis	FKBP12 rapamycin complex associated protein	0.1215	0.0727	0.0618
Entamoeba histolytica	hypothetical protein	0.069	0.0397	0.4611
Trichomonas vaginalis	conserved hypothetical protein	0.0434	0.0237	0.1985
Trichomonas vaginalis	conserved hypothetical protein	0.0509	0.0284	0.2757
Entamoeba histolytica	phosphatidylinositol 3-kinase, putative	0.0398	0.0214	0.1611
Echinococcus granulosus	phosphatidylinositol 3 kinase catalytic subunit	0.0294	0.015	0.0034
Trichomonas vaginalis	PIKK family atypical protein kinase	0.1205	0.072	0.9901
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0674	0.0388	0.4453
Trichomonas vaginalis	phosphatidylinositol 3-kinase catalytic subunit alpha, beta, delta, putative	0.055	0.031	0.3178
Trypanosoma brucei	phosphatidylinositol 4-kinase alpha, putative	0.0294	0.015	0.2061
Trichomonas vaginalis	PIKK family atypical protein kinase	0.1205	0.072	0.9901
Brugia malayi	Phosphatidylinositol 3- and 4-kinase family protein	0.0674	0.0388	0.5241
Echinococcus granulosus	FKBP12 rapamycin complex associated protein	0.1215	0.0727	0.0618
Trypanosoma brucei	target of rapamycin kinase 3, putative	0.1205	0.0721	0.9917
Trichomonas vaginalis	PIKK family atypical protein kinase	0.1205	0.072	0.9901
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0686	0.0395	0.4569
Trypanosoma cruzi	phosphatidylinositol 3-related kinase, putative	0.1236	0.074	0.2133
Loa Loa (eye worm)	hypothetical protein	0.075	0.0435	0.5987
Echinococcus multilocularis	serine:threonine protein kinase SMG1	0.0674	0.0388	0.0275
Loa Loa (eye worm)	phosphatidylinositol 3	0.0121	0.0041	0.0567
Brugia malayi	Phosphatidylinositol 3- and 4-kinase family protein	0.024	0.0116	0.1567
Brugia malayi	FAT domain containing protein	0.0509	0.0284	0.3842
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0696	0.0401	0.4676
Loa Loa (eye worm)	phosphatidylinositol 3	0.024	0.0116	0.1596
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0434	0.0237	0.1985
Trichomonas vaginalis	phosphatidylinositol 3-kinase class, putative	0.0362	0.0192	0.1243
Trypanosoma cruzi	phosphatidylinositol kinase related protein, putative	0.0256	0.0126	0.0362
Trichomonas vaginalis	PIKK family atypical protein kinase	0.1215	0.0727	1
Entamoeba histolytica	phosphatidylinositol3-kinaseTor2, putative	0.1215	0.0727	1
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0694	0.04	0.4651
Echinococcus multilocularis	PIK kinase, FAT and Armadillo domain containing protein	0.0509	0.0284	0.017
Trichomonas vaginalis	phosphatidylinositol kinase, putative	0.0653	0.0375	0.4237
Trypanosoma cruzi	phosphatidylinositol 3-kinase, putative	0.024	0.0116	0.0334
Schistosoma mansoni	hypothetical protein	0.0509	0.0284	0.2697
Giardia lamblia	GTOR	0.1215	0.0727	1
Trypanosoma cruzi	Phosphatidylinositol 3-kinase tor1	0.1215	0.0727	0.2094
Trypanosoma brucei	FAT domain/Rapamycin binding domain/Phosphatidylinositol 3- and 4-kinase, putative	0.0759	0.0441	0.607
Toxoplasma gondii	target of rapamycin (TOR), putative	0.1203	0.0719	1
Trypanosoma cruzi	target of rapamycin kinase 3	0.1205	0.0721	0.2077
Onchocerca volvulus		0.024	0.0116	0.5
Trichomonas vaginalis	PIKK family atypical protein kinase	0.1195	0.0714	0.9794
Brugia malayi	phosphoinositide 3'-hydroxykinase p110-alpha subunit, putative	0.0181	0.0079	0.1066
Leishmania major	target of rapamycin kinase (TOR) kinase 3	0.1205	0.0721	0.199
Plasmodium falciparum	phosphatidylinositol 3-kinase	0.0294	0.015	1
Toxoplasma gondii	phosphatidylinositol 3- and 4-kinase	0.0294	0.015	0.056
Loa Loa (eye worm)	hypothetical protein	0.024	0.0116	0.1596
Entamoeba histolytica	FKBP-rapamycin associated protein (FRAP), putative	0.1215	0.0727	1
Echinococcus multilocularis	Zinc finger, PHD finger	0.0294	0.015	0.0034
Trichomonas vaginalis	PIKK family atypical protein kinase	0.1193	0.0713	0.9777
Loa Loa (eye worm)	phosphatidylinositol 4-kinase type 3 alpha isoform 1	0.0294	0.015	0.2061
Trypanosoma cruzi	Phosphatidylinositol 3-kinase tor2	0.1215	0.0727	0.2094
Leishmania major	hypothetical protein, unknown function	0.024	0.0116	0.032
Schistosoma mansoni	fkbp-rapamycin associated protein	0.0674	0.0388	0.4357

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: CHEMBL1630924

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 1467418