TDR Targets

Basic information

Technical information

TDR Targets ID: 1004941
Name: 2-[[4-[2-(3-chlorophenyl)ethyl]phenyl]amino]b enzoic acid
MW: 351.826 | Formula: C21H18ClNO2
H donors: 2 H acceptors: 2 LogP: 6.39 Rotable bonds: 6
Rule of 5 violations (Lipinski): 1
SMILES: Clc1cccc(c1)CCc1ccc(cc1)Nc1ccccc1C(=O)O
InChi: 1S/C21H18ClNO2/c22-17-5-3-4-16(14-17)9-8-15-10-12-18(13-11-15)23-20-7-2-1-6-19(20)21(24)25/h1-7,10-14,23H,8-9H2,(H,24,25)
InChiKey: MSGRXDSNAPBTLM-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
Trichomonas vaginalis	phosphatidylinositol 3-kinase class, putative	0.0313	0.2996	0.5869
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0127	0.0503	0.0927
Leishmania major	hypothetical protein, conserved	0.0142	0.0707	0.1333
Trypanosoma brucei	phosphatidylinositol 3-kinase, putative	0.0224	0.1807	0.3513
Echinococcus multilocularis	DNA dependent protein kinase catalytic subunit	0.0306	0.2907	0.2882
Loa Loa (eye worm)	hypothetical protein	0.0139	0.0666	0.0768
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0374	0.3818	0.7499
Trypanosoma brucei	phosphatidylinositol kinase related protein, putative	0.0132	0.0561	0.1043
Trypanosoma brucei	Phosphatidylinositol 3-kinase tor1	0.0468	0.508	1
Brugia malayi	Phosphatidylinositol 3- and 4-kinase family protein	0.0468	0.508	1
Entamoeba histolytica	phosphatidylinositol3-kinaseTor2, putative	0.0468	0.508	1
Echinococcus granulosus	serine protein kinase ATM	0.0132	0.0561	0.0565
Echinococcus multilocularis	geminin	0.0166	0.1023	0.0992
Trichomonas vaginalis	phosphatidylinositol 3-kinase class, putative	0.0173	0.1121	0.2154
Toxoplasma gondii	FATC domain-containing protein	0.0132	0.0561	0.1391
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0318	0.3069	0.6014
Giardia lamblia	GTOR	0.0468	0.508	1
Toxoplasma gondii	non-specific serine/threonine protein kinase	0.0145	0.0745	0.1878
Trichomonas vaginalis	PIKK family atypical protein kinase	0.03	0.2826	0.5533
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0281	0.2572	0.5029
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0299	0.2811	0.5502
Brugia malayi	Phosphatidylinositol 3- and 4-kinase family protein	0.0173	0.1121	0.2154
Echinococcus multilocularis	serine:threonine protein kinase SMG1	0.0132	0.0561	0.0528
Echinococcus granulosus	phosphatidylinositol 3 and 4 kinase	0.0424	0.4494	0.4788
Brugia malayi	Phosphatidylinositol 3- and 4-kinase family protein	0.0132	0.0561	0.1043
Schistosoma mansoni	ataxia telangiectasia mutated (atm)	0.0132	0.0561	0.0565
Brugia malayi	phosphoinositide 3'-hydroxykinase p110-alpha subunit, putative	0.0349	0.3478	0.6824
Schistosoma mansoni	hypothetical protein	0.0093	0.0038	0.0003
Schistosoma mansoni	phosphatidylinositol-45-bisphosphate 3-kinase catalytic subunit alpha PI3K	0.0785	0.9348	1
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0299	0.2815	0.551
Schistosoma mansoni	phosphatidylinositol-45-bisphosphate 3-kinase catalytic subunit alpha PI3K	0.0173	0.1121	0.1167
Trypanosoma cruzi	target of rapamycin kinase 3	0.0393	0.4077	0.8025
Trypanosoma brucei	phosphatidylinositol 3-related kinase, putative	0.0267	0.2381	0.4649
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0374	0.3818	0.7499
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0393	0.4072	0.8003
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0374	0.3818	0.7499
Echinococcus multilocularis	serine protein kinase ATM	0.0132	0.0561	0.0528
Loa Loa (eye worm)	phosphatidylinositol 3	0.0121	0.0414	0.0461
Trichomonas vaginalis	phosphatidylinositol 3-kinase catalytic subunit alpha, beta, delta, putative	0.0313	0.2996	0.5869
Trypanosoma cruzi	phosphatidylinositol 3-kinase, putative	0.0121	0.0414	0.0815
Echinococcus granulosus	phosphatidylinositol 45 bisphosphate 3 kinase	0.0785	0.9348	1
Toxoplasma gondii	target of rapamycin (TOR), putative	0.0374	0.3818	1
Plasmodium vivax	phosphatidylinositol 3-kinase, putative	0.0092	0.0035	0.5
Trypanosoma brucei	phosphatidylinositol 3-kinase, putative	0.0173	0.1121	0.2154
Echinococcus multilocularis	phosphatidylinositol 3 and 4 kinase	0.0424	0.4494	0.4475
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0314	0.3011	0.5898
Trypanosoma cruzi	phosphatidylinositol 3-related kinase, putative	0.0424	0.4494	0.8847
Entamoeba histolytica	phosphatidylinositol 3-kinase, putative	0.0216	0.1701	0.3302
Leishmania major	phosphatidylinositol 3-related kinase, putative	0.0267	0.2381	0.4649
Entamoeba histolytica	phosphatidylinositol 3-kinase, putative	0.0173	0.1121	0.2154
Entamoeba histolytica	phosphatidylinositol 3-kinase, putative	0.0173	0.1121	0.2154
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0468	0.508	1
Entamoeba histolytica	phosphatidylinositol 3-kinase, putative	0.0356	0.3575	0.7018
Echinococcus granulosus	serine:threonine protein kinase SMG1	0.0132	0.0561	0.0565
Leishmania major	target of rapamycin kinase (TOR) kinase 3	0.0393	0.4077	0.8011
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0299	0.2815	0.551
Loa Loa (eye worm)	hypothetical protein	0.0297	0.2788	0.3346
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0224	0.1807	0.3513
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0267	0.2381	0.4649
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0281	0.2572	0.5029
Entamoeba histolytica	hypothetical protein	0.0132	0.0561	0.1043
Trypanosoma brucei	phosphatidylinositol 4-kinase, putative	0.0468	0.508	1
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0393	0.4072	0.8003
Loa Loa (eye worm)	phosphatidylinositol 3	0.0704	0.8261	1
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0374	0.3818	0.7499
Trypanosoma cruzi	phosphatidylinositol 3-kinase 2, putative	0.0437	0.4662	0.9177
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0375	0.3834	0.753
Trypanosoma cruzi	phosphatidylinositol 3-related kinase, putative	0.0424	0.4494	0.8847
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0299	0.2815	0.551
Entamoeba histolytica	FKBP-rapamycin associated protein (FRAP), putative	0.0468	0.508	1
Entamoeba histolytica	phosphatidylinositol 3-kinase 1, putative	0.0384	0.3955	0.7769
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0132	0.0561	0.1043
Trichomonas vaginalis	phopsphatidylinositol 3-kinase, drosophila, putative	0.0437	0.4662	0.9171
Echinococcus multilocularis	FKBP12 rapamycin complex associated protein	0.0468	0.508	0.5063
Loa Loa (eye worm)	phosphatidylinositol 3	0.0267	0.2381	0.2851
Trypanosoma cruzi	phosphatidylinositol 4-kinase alpha, putative	0.0092	0.0035	0.0069
Trypanosoma cruzi	phosphatidylinositol kinase related protein, putative	0.0132	0.0561	0.1105
Trichomonas vaginalis	phosphatidylinositol 3-kinase catalytic subunit gamma, putative	0.0437	0.4662	0.9171
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0468	0.508	1
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0299	0.2811	0.5502
Entamoeba histolytica	Phosphatidylinositol 3- and 4-kinase family	0.0174	0.1135	0.218
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0468	0.508	1
Trypanosoma cruzi	phosphatidylinositol 3-kinase vps34-like	0.0173	0.1121	0.2208
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0318	0.3069	0.6014
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0374	0.3818	0.7499
Echinococcus granulosus	PIK kinase FAT and Armadillo domain containing protein	0.0093	0.0038	0.0003
Brugia malayi	Phosphatidylinositol 3- and 4-kinase family protein	0.0132	0.0561	0.1043
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0374	0.3818	0.7499
Echinococcus granulosus	FKBP12 rapamycin complex associated protein	0.0468	0.508	0.5417
Trypanosoma brucei	FAT domain/Rapamycin binding domain/Phosphatidylinositol 3- and 4-kinase, putative	0.022	0.1753	0.3405
Echinococcus multilocularis	PIK kinase, FAT and Armadillo domain containing protein	0.0093	0.0038	0.0003
Entamoeba histolytica	phosphatidylinositol 3-kinase, putative	0.0437	0.4662	0.9171
Echinococcus multilocularis	phosphatidylinositol 4 phosphate 3 kinase C2	0.0297	0.2788	0.2762
Echinococcus granulosus	phosphatidylinositol 4 phosphate 3 kinase C2	0.0297	0.2788	0.2956
Trypanosoma cruzi	phosphatidylinositol 4-kinase alpha, putative	0.0092	0.0035	0.0069
Brugia malayi	Phosphatidylinositol 3- and 4-kinase family protein	0.0437	0.4662	0.9171
Echinococcus multilocularis	phosphatidylinositol 4,5 bisphosphate 3 kinase	0.0785	0.9348	0.9345
Leishmania major	phosphatidylinositol 3-kinase, putative	0.0224	0.1807	0.3513
Loa Loa (eye worm)	hypothetical protein	0.0093	0.0038	0.0004
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0281	0.2572	0.5029
Giardia lamblia	Phosphoinositide-3-kinase, catalytic, alpha polypeptide	0.0232	0.1909	0.2945
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0374	0.3818	0.7499
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0224	0.1807	0.3513
Entamoeba histolytica	protein kinase rad3, putative	0.0132	0.0561	0.1043
Schistosoma mansoni	fkbp-rapamycin associated protein	0.0132	0.0561	0.0565
Loa Loa (eye worm)	hypothetical protein	0.0132	0.0561	0.064
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0299	0.2811	0.5502
Entamoeba histolytica	hypothetical protein	0.0356	0.3575	0.7018
Trypanosoma brucei	phosphatidylinositol 3-kinase tor, putative	0.0202	0.151	0.2924
Echinococcus granulosus	geminin	0.0166	0.1023	0.1061
Trichomonas vaginalis	conserved hypothetical protein	0.0093	0.0038	0.0006
Echinococcus granulosus	DNA dependent protein kinase catalytic subunit	0.0306	0.2907	0.3084
Leishmania major	target of rapamycin (TOR) kinase 1, putative	0.0468	0.508	1
Brugia malayi	Phosphatidylinositol 3- and 4-kinase family protein	0.0297	0.2788	0.5456
Schistosoma mansoni	ataxia telangiectasia mutated (atm)-related	0.0468	0.508	0.5417
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0174	0.1135	0.218
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0224	0.1807	0.3513
Schistosoma mansoni	phosphatidylinositol 3-and 4-kinase	0.0424	0.4494	0.4788
Schistosoma mansoni	hypothetical protein	0.0166	0.1023	0.1061
Trypanosoma cruzi	Phosphatidylinositol 3-kinase tor2	0.0468	0.508	1
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0132	0.0561	0.1043
Brugia malayi	FAT domain containing protein	0.0093	0.0038	0.0006
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0393	0.4072	0.8003
Loa Loa (eye worm)	phosphatidylinositol 3	0.0468	0.508	0.6133
Leishmania major	target of rapamycin (TOR) kinase 2, putative	0.0468	0.508	1
Trypanosoma cruzi	phosphatidylinositol 3-kinase, putative	0.0132	0.0561	0.1105
Trichomonas vaginalis	conserved hypothetical protein	0.0145	0.0745	0.1408
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0299	0.2815	0.551
Schistosoma mansoni	hypothetical protein	0.0166	0.1023	0.1061
Plasmodium falciparum	phosphatidylinositol 3-kinase	0.0092	0.0035	0.5
Trypanosoma brucei	target of rapamycin kinase 3, putative	0.0393	0.4077	0.8011
Trichomonas vaginalis	phosphatidylinositol kinase, putative	0.0173	0.1121	0.2154
Loa Loa (eye worm)	hypothetical protein	0.0145	0.0745	0.0864
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0393	0.4072	0.8003
Trichomonas vaginalis	phosphatidylinositol 3-kinase catalytic subunit alpha, beta, delta, putative	0.0173	0.1121	0.2154
Trypanosoma cruzi	Phosphatidylinositol 3-kinase tor1	0.0468	0.508	1
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0393	0.4072	0.8003
Trichomonas vaginalis	phosphatidylinositol kinase, putative	0.0437	0.4662	0.9171
Trypanosoma cruzi	phosphatidylinositol 3-kinase 2, putative	0.0437	0.4662	0.9177
Brugia malayi	Phosphatidylinositol 3- and 4-kinase family protein	0.0424	0.4494	0.8839
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0224	0.1807	0.3513

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: CHEMBL502727

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 1004941