TDR Targets

Basic information

Technical information

TDR Targets ID: 376277
Name: 2-(2,1,3-benzothiadiazol-7-ylsulfonylamino)-N -benzyl-4-chloro-N-methylbenzamide
MW: 472.968 | Formula: C21H17ClN4O3S2
H donors: 1 H acceptors: 5 LogP: 4.45 Rotable bonds: 7
Rule of 5 violations (Lipinski): 1
SMILES: Clc1ccc(c(c1)NS(=O)(=O)c1cccc2c1nsn2)C(=O)N(Cc1ccccc1)C
InChi: 1S/C21H17ClN4O3S2/c1-26(13-14-6-3-2-4-7-14)21(27)16-11-10-15(22)12-18(16)25-31(28,29)19-9-5-8-17-20(19)24-30-23-17/h2-12,25H,13H2,1H3
InChiKey: JMMVFKHCJVTTMG-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

2-(2,1,3-benzothiadiazol-7-ylsulfonylamino)-N-benzyl-4-chloro-N-methyl-benzamide
2-(2,1,3-benzothiadiazol-7-ylsulfonylamino)-4-chloro-N-methyl-N-(phenylmethyl)benzamide
N-benzyl-4-chloro-N-methyl-2-(piazthiol-4-ylsulfonylamino)benzamide
N-(benzyl)-4-chloro-N-methyl-2-(piazthiol-4-ylsulfonylamino)benzamide

Targets

Known targets for this compound

Species	Target name	Source	Bibliographic reference
Homo sapiens	cholecystokinin A receptor	Starlite/ChEMBL	References
Homo sapiens	cholecystokinin B receptor	Starlite/ChEMBL	References

Predicted pathogen targets for this compound

By orthology

Species	Potential target	Known druggable target/s	Ortholog Group
Brugia malayi	sulfakinin receptor protein	Get druggable targets OG5_132882	All targets in OG5_132882
Brugia malayi	hypothetical protein	Get druggable targets OG5_132882	All targets in OG5_132882
Loa Loa (eye worm)	hypothetical protein	Get druggable targets OG5_132882	All targets in OG5_132882

By sequence similarity to non orthologous known druggable targets

Species	Potential target	Known druggable target	Length	Alignment span	Identity
Echinococcus granulosus	rhodopsin orphan GPCR	cholecystokinin A receptor	428 aa	373 aa	19.6 %

Ranking Plot

Putative Targets List

Species	Potential target	Raw	Global	Species
Brugia malayi	sulfakinin receptor protein	0.0261	0.048	0.5106
Plasmodium vivax	phosphatidylinositol 3- and 4-kinase, putative	0.0064	0.0046	0.5
Plasmodium vivax	phosphatidylinositol 4-kinase, putative	0.0064	0.0046	0.5
Toxoplasma gondii	non-specific serine/threonine protein kinase	0.021	0.0367	0.538
Echinococcus multilocularis	phosphatidylinositol 3 and 4 kinase	0.0334	0.0641	0.0614
Brugia malayi	Phosphatidylinositol 3- and 4-kinase family protein	0.0064	0.0046	0.0367
Trypanosoma brucei	phosphatidylinositol 3-kinase, putative	0.0334	0.0641	0.8983
Echinococcus granulosus	serine protein kinase ATM	0.0188	0.032	0.0292
Brugia malayi	Phosphatidylinositol 3- and 4-kinase family protein	0.0064	0.0046	0.0367
Echinococcus granulosus	FKBP12 rapamycin complex associated protein	0.0364	0.0708	0.0681
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0353	0.0682	0.9608
Toxoplasma gondii	phosphatidylinositol 3- and 4-kinase	0.0064	0.0046	0.067
Loa Loa (eye worm)	hypothetical protein	0.0465	0.0929	1
Echinococcus granulosus	Phosphatidylinositol 4 kinase type 2 beta	0.0064	0.0046	0.0017
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0353	0.0682	0.9608
Onchocerca volvulus		0.0064	0.0046	1
Mycobacterium ulcerans	hypothetical protein	0.0142	0.0218	0.5
Echinococcus multilocularis		0.0064	0.0046	0.0017
Trypanosoma cruzi	mitochondrial DNA polymerase beta-PAK, putative	0.0128	0.0186	0.0525
Brugia malayi	Phosphatidylinositol 3- and 4-kinase family protein	0.0188	0.032	0.3352
Loa Loa (eye worm)	pigment dispersing factor receptor c	0.0049	0.0012	0.0009
Brugia malayi	hypothetical protein	0.0261	0.048	0.5106
Trypanosoma cruzi	phosphatidylinositol kinase related protein, putative	0.0188	0.032	0.0915
Brugia malayi	Phosphatidylinositol 3- and 4-kinase family protein	0.0064	0.0046	0.0367
Trypanosoma cruzi	phosphatidylinositol 4-kinase, putative	0.0064	0.0046	0.0116
Trypanosoma brucei	phosphatidylinositol 4-kinase, putative	0.0364	0.0708	1
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0207	0.0361	0.4758
Schistosoma mansoni	phosphatidylinositol 3-and 4-kinase	0.0334	0.0641	0.2107
Echinococcus multilocularis	muscleblind protein	0.0465	0.0929	0.0903
Mycobacterium leprae	conserved hypothetical protein	0.0064	0.0046	0.5
Loa Loa (eye worm)	phosphatidylinositol 3	0.0064	0.0046	0.0376
Brugia malayi	Phosphatidylinositol 3- and 4-kinase family protein	0.0188	0.032	0.3352
Schistosoma mansoni	phosphatidylinositol 3-kinase class	0.0064	0.0046	0.0115
Trypanosoma brucei	phosphatidylinositol 3-related kinase, putative	0.0334	0.0641	0.8983
Leishmania major	phosphatidylinositol 3-kinase, putative	0.0334	0.0641	0.1686
Loa Loa (eye worm)	phosphatidylinositol 3	0.0064	0.0046	0.0376
Entamoeba histolytica	hypothetical protein	0.0188	0.032	0.4133
Brugia malayi	FAT domain containing protein	0.0146	0.0225	0.2324
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0343	0.0662	0.9296
Trypanosoma cruzi	phosphatidylinositol kinase related protein, putative	0.0064	0.0046	0.0116
Leishmania major	hypothetical protein, conserved	0.1663	0.3575	1
Trypanosoma cruzi	phosphatidylinositol 3-kinase, putative	0.0064	0.0046	0.0116
Trypanosoma brucei	phosphatidylinositol 3-kinase tor, putative	0.0083	0.0087	0.0625
Loa Loa (eye worm)	phosphatidylinositol kinase	0.0064	0.0046	0.0376
Schistosoma mansoni	hypothetical protein	0.0151	0.0238	0.0759
Loa Loa (eye worm)	RNA recognition domain-containing protein domain-containing protein	0.0057	0.0029	0.0192
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0188	0.032	0.4133
Echinococcus granulosus	phosphatidylinositol 4 phosphate 3 kinase C2	0.0064	0.0046	0.0017
Loa Loa (eye worm)	hypothetical protein	0.0188	0.032	0.3358
Trypanosoma cruzi	mitochondrial DNA polymerase beta, putative	0.027	0.0499	0.144
Echinococcus granulosus	phosphatidylinositol 4 kinase beta	0.0064	0.0046	0.0017
Brugia malayi	Muscleblind-like protein	0.0465	0.0929	1
Loa Loa (eye worm)	phosphatidylinositol 3	0.0364	0.0708	0.7591
Loa Loa (eye worm)	phosphatidylinositol 3	0.0334	0.0641	0.6858
Schistosoma mansoni	hypothetical protein	0.0064	0.0046	0.0115
Trypanosoma brucei	target of rapamycin kinase 3, putative	0.0355	0.0688	0.9688
Plasmodium falciparum	phosphatidylinositol 3- and 4-kinase, putative	0.0064	0.0046	0.5
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0355	0.0687	0.9687
Leishmania major	target of rapamycin kinase (TOR) kinase 3	0.0355	0.0688	0.1819
Schistosoma mansoni	tar DNA-binding protein	0.0057	0.0029	0.0059
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0346	0.0667	0.9375
Schistosoma mansoni	ataxia telangiectasia mutated (atm)-related	0.0364	0.0708	0.2333
Loa Loa (eye worm)	phosphatidylinositol 3	0.0064	0.0046	0.0376
Schistosoma mansoni	phosphatidylinositol-45-bisphosphate 3-kinase catalytic subunit alpha PI3K	0.0064	0.0046	0.0115
Entamoeba histolytica	FKBP-rapamycin associated protein (FRAP), putative	0.0364	0.0708	1
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0207	0.0361	0.4758
Loa Loa (eye worm)	phosphatidylinositol 3	0.0064	0.0046	0.0376
Loa Loa (eye worm)	phosphatidylinositol 3	0.0064	0.0046	0.0376
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0343	0.0662	0.9295
Echinococcus multilocularis	phosphatidylinositol 4 kinase alpha	0.0064	0.0046	0.0017
Trypanosoma cruzi	phosphatidylinositol 4-kinase, putative	0.0064	0.0046	0.0116
Toxoplasma gondii	phosphatidylinositol 3- and 4-kinase	0.0064	0.0046	0.067
Brugia malayi	RNA recognition motif domain containing protein	0.0057	0.0029	0.0183
Schistosoma mansoni	phosphatidylinositol 4-kinase type-II	0.0064	0.0046	0.0115
Trypanosoma cruzi	Phosphatidylinositol 3-kinase tor2	0.0364	0.0708	0.2049
Schistosoma mansoni	tar DNA-binding protein	0.0057	0.0029	0.0059
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0355	0.0687	0.9687
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0355	0.0687	0.9687
Loa Loa (eye worm)	hypothetical protein	0.021	0.0367	0.3875
Brugia malayi	Phosphatidylinositol 3- and 4-kinase family protein	0.0364	0.0708	0.7589
Echinococcus granulosus	serine:threonine protein kinase SMG1	0.0188	0.032	0.0292
Toxoplasma gondii	phosphatidylinositol 3- and 4-kinase	0.0064	0.0046	0.067
Schistosoma mansoni	phosphatidylinositol-45-bisphosphate 3-kinase catalytic subunit alpha PI3K	0.0064	0.0046	0.0115
Echinococcus multilocularis	serine protein kinase ATM	0.0188	0.032	0.0292
Brugia malayi	Phosphatidylinositol 3- and 4-kinase family protein	0.0064	0.0046	0.0367
Echinococcus granulosus	tumor protein p63	0.0332	0.0637	0.061
Trypanosoma cruzi	phosphatidylinositol 3-related kinase, putative	0.0334	0.0641	0.1853
Echinococcus granulosus	muscleblind protein	0.0465	0.0929	0.0903
Plasmodium vivax	hypothetical protein, conserved	0.0064	0.0046	0.5
Entamoeba histolytica	Phosphatidylinositol 3- and 4-kinase family	0.0188	0.032	0.4133
Echinococcus multilocularis	muscleblind protein 1	0.0465	0.0929	0.0903
Loa Loa (eye worm)	hypothetical protein	0.0465	0.0929	1
Echinococcus granulosus	phosphatidylinositol 3 kinase catalytic subunit	0.0064	0.0046	0.0017
Leishmania major	mitochondrial DNA polymerase beta-PAK, putative	0.0128	0.0186	0.0397
Trypanosoma cruzi	phosphatidylinositol 4-kinase alpha, putative	0.0064	0.0046	0.0116
Trichomonas vaginalis	conserved hypothetical protein	0.0146	0.0225	0.271
Toxoplasma gondii	target of rapamycin (TOR), putative	0.0353	0.0682	1
Loa Loa (eye worm)	RNA binding protein	0.0057	0.0029	0.0192
Entamoeba histolytica	protein kinase rad3, putative	0.0188	0.032	0.4133
Loa Loa (eye worm)	hypothetical protein	0.0146	0.0225	0.2331
Brugia malayi	MH2 domain containing protein	0.0107	0.0139	0.1387
Echinococcus granulosus	phosphatidylinositol 4 kinase alpha	0.0064	0.0046	0.0017
Plasmodium vivax	phosphatidylinositol 4-kinase, putative	0.0064	0.0046	0.5
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0353	0.0682	0.9608
Echinococcus granulosus	geminin	0.0151	0.0238	0.021
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0364	0.0708	1
Loa Loa (eye worm)	phosphatidylinositol 4-kinase type 3 alpha isoform 1	0.0064	0.0046	0.0376
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0188	0.032	0.4133
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0355	0.0687	0.9687
Echinococcus multilocularis	phosphatidylinositol 4,5 bisphosphate 3 kinase	0.0064	0.0046	0.0017
Trypanosoma cruzi	phosphatidylinositol 3-kinase, putative	0.0188	0.032	0.0915
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0124	0.0178	0.1993
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0209	0.0366	0.4837
Trypanosoma brucei	phosphatidylinositol kinase related protein, putative	0.0188	0.032	0.4133
Leishmania major	target of rapamycin (TOR) kinase 1, putative	0.0364	0.0708	0.1877
Schistosoma mansoni	phosphatidylinositol-45-bisphosphate 3-kinase catalytic subunit alpha PI3K	0.0064	0.0046	0.0115
Schistosoma mansoni	tar DNA-binding protein	0.0057	0.0029	0.0059
Trypanosoma brucei	FAT domain/Rapamycin binding domain/Phosphatidylinositol 3- and 4-kinase, putative	0.0219	0.0388	0.5163
Echinococcus granulosus	phosphatidylinositol 45 bisphosphate 3 kinase	0.0064	0.0046	0.0017
Echinococcus granulosus	Phosphatidylinositol 4 kinase type 2 beta	0.0064	0.0046	0.0017
Trypanosoma cruzi	phosphatidylinositol 3-kinase vps34-like	0.0064	0.0046	0.0116
Trypanosoma brucei	Phosphatidylinositol 3-kinase tor1	0.0364	0.0708	1
Loa Loa (eye worm)	TAR-binding protein	0.0057	0.0029	0.0192
Echinococcus multilocularis	geminin	0.0151	0.0238	0.021
Echinococcus multilocularis	FKBP12 rapamycin complex associated protein	0.0364	0.0708	0.0681
Trichomonas vaginalis	conserved hypothetical protein	0.021	0.0367	0.485
Schistosoma mansoni	tar DNA-binding protein	0.0057	0.0029	0.0059
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0353	0.0682	0.9608
Schistosoma mansoni	ataxia telangiectasia mutated (atm)	0.0188	0.032	0.1032
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0343	0.0662	0.9296
Echinococcus multilocularis	Phosphatidylinositol 4 kinase type 2 beta	0.0064	0.0046	0.0017
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0219	0.0387	0.515
Echinococcus multilocularis	microtubule associated protein 2	0.1402	0.2999	0.2979
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0334	0.0641	0.8983
Loa Loa (eye worm)	hypothetical protein	0.0064	0.0046	0.0376
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0364	0.0708	1
Trypanosoma cruzi	mitochondrial DNA polymerase beta, putative	0.027	0.0499	0.144
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0188	0.032	0.4133
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0343	0.0662	0.9296
Plasmodium falciparum	phosphatidylinositol 4-kinase	0.0064	0.0046	0.5
Mycobacterium tuberculosis	Conserved hypothetical protein	0.0142	0.0218	1
Onchocerca volvulus		0.0064	0.0046	1
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0343	0.0662	0.9296
Echinococcus granulosus	phosphatidylinositol 3 and 4 kinase	0.0334	0.0641	0.0614
Brugia malayi	TAR-binding protein	0.0057	0.0029	0.0183
Echinococcus multilocularis	DNA dependent protein kinase catalytic subunit	0.4574	1	1
Echinococcus multilocularis	PIK kinase, FAT and Armadillo domain containing protein	0.0146	0.0225	0.0197
Trypanosoma brucei	mitochondrial DNA polymerase beta-PAK	0.0128	0.0186	0.2114
Brugia malayi	Phosphatidylinositol 3- and 4-kinase family protein	0.0064	0.0046	0.0367
Trichomonas vaginalis	conserved hypothetical protein	0.0124	0.0178	0.1993
Loa Loa (eye worm)	hypothetical protein	0.0261	0.048	0.511
Loa Loa (eye worm)	MH2 domain-containing protein	0.0107	0.0139	0.1395
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0364	0.0708	1
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0343	0.0662	0.9295
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0355	0.0687	0.9687
Leishmania major	phosphatidylinositol 3-related kinase, putative	0.0334	0.0641	0.1686
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0343	0.0662	0.9295
Echinococcus multilocularis	atpase aaa+ type core atpase aaa type core	0.0797	0.1663	0.1639
Trypanosoma brucei	mitochondrial DNA polymerase beta	0.027	0.0499	0.6848
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0334	0.0641	0.8983
Loa Loa (eye worm)	hypothetical protein	0.0124	0.0178	0.1814
Trypanosoma cruzi	hypothetical protein, conserved	0.1599	0.3433	1
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0074	0.0066	0.0312
Brugia malayi	Phosphatidylinositol 3- and 4-kinase family protein	0.0334	0.0641	0.6855
Brugia malayi	phosphatidylinositol 4-kinase, catalytic, alpha polypeptide	0.0064	0.0046	0.0367
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0353	0.0682	0.9608
Brugia malayi	RNA binding protein	0.0057	0.0029	0.0183
Loa Loa (eye worm)	hypothetical protein	0.0049	0.0012	0.0009
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0334	0.0641	0.8983
Echinococcus granulosus	PIK kinase FAT and Armadillo domain containing protein	0.0146	0.0225	0.0197
Echinococcus multilocularis	phosphatidylinositol 4 phosphate 3 kinase C2	0.0064	0.0046	0.0017
Schistosoma mansoni	phosphatidylinositol 4-kinase	0.0064	0.0046	0.0115
Schistosoma mansoni	fkbp-rapamycin associated protein	0.0188	0.032	0.1032
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0334	0.0641	0.8983
Trypanosoma cruzi	target of rapamycin kinase 3	0.0355	0.0688	0.1989
Toxoplasma gondii	FATC domain-containing protein	0.0188	0.032	0.4684
Echinococcus multilocularis	serine:threonine protein kinase SMG1	0.0188	0.032	0.0292
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0353	0.0682	0.9608
Giardia lamblia	GTOR	0.0364	0.0708	1
Loa Loa (eye worm)	hypothetical protein	0.0064	0.0046	0.0376
Trypanosoma cruzi	phosphatidylinositol kinase related protein, putative	0.0124	0.0178	0.0501
Plasmodium vivax	phosphatidylinositol 3-kinase, putative	0.0064	0.0046	0.5
Schistosoma mansoni	microtubule-associated protein tau	0.1402	0.2999	1
Toxoplasma gondii	phosphatidylinositol 3- and 4-kinase	0.0064	0.0046	0.067
Brugia malayi	Phosphatidylinositol 3- and 4-kinase family protein	0.0064	0.0046	0.0367
Echinococcus multilocularis	tumor protein p63	0.0332	0.0637	0.061
Leishmania major	mitochondrial DNA polymerase beta	0.027	0.0499	0.1286
Loa Loa (eye worm)	transcription factor SMAD2	0.0107	0.0139	0.1395
Trypanosoma cruzi	phosphatidylinositol 3-kinase 2, putative	0.0064	0.0046	0.0116
Entamoeba histolytica	phosphatidylinositol3-kinaseTor2, putative	0.0364	0.0708	1
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0207	0.0361	0.4758
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0353	0.0682	0.9608
Schistosoma mansoni	tar DNA-binding protein	0.0057	0.0029	0.0059
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0334	0.0641	0.8983
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0231	0.0414	0.5554
Plasmodium vivax	hypothetical protein	0.0064	0.0046	0.5
Trypanosoma cruzi	Phosphatidylinositol 3-kinase tor1	0.0364	0.0708	0.2049
Toxoplasma gondii	phosphatidylinositol 3- and 4-kinase	0.0064	0.0046	0.067
Echinococcus multilocularis	Phosphatidylinositol 4 kinase type 2 beta	0.0064	0.0046	0.0017
Trypanosoma cruzi	phosphatidylinositol 3-kinase 2, putative	0.0064	0.0046	0.0116
Echinococcus granulosus	microtubule associated protein 2	0.1402	0.2999	0.2979
Echinococcus multilocularis	Zinc finger, PHD finger	0.0064	0.0046	0.0017
Trypanosoma cruzi	phosphatidylinositol 3-related kinase, putative	0.0334	0.0641	0.1853
Trypanosoma cruzi	phosphatidylinositol kinase, putative	0.0064	0.0046	0.0116
Schistosoma mansoni	hypothetical protein	0.0151	0.0238	0.0759
Schistosoma mansoni	phosphatidylinositol 4-kinase	0.0064	0.0046	0.0115
Schistosoma mansoni	hypothetical protein	0.0146	0.0225	0.0716
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0346	0.0667	0.9375
Plasmodium falciparum	phosphatidylinositol 3-kinase	0.0064	0.0046	0.5
Leishmania major	target of rapamycin (TOR) kinase 2, putative	0.0364	0.0708	0.1877
Trypanosoma cruzi	phosphatidylinositol 4-kinase alpha, putative	0.0064	0.0046	0.0116

Activities

Activity type	Activity value	Assay description	Source	Reference
Ki (binding)	= -7.5	Displacement of [125I]CCK-8S from human CCK2R	ChEMBL.	17034143
Ki (binding)	< -5	Displacement of [125I]CCK-8S from human CCK1R	ChEMBL.	17034143
Ki (binding)	> 10 uM	Displacement of [125I]CCK-8S from human CCK1R	ChEMBL.	17034143
Ki (binding)	> 10 uM	Displacement of [125I]CCK-8S from human CCK1R	ChEMBL.	17034143
Log Ki (binding)	< 5	Displacement of [125I]CCK-8S from human CCK1R	ChEMBL.	17034143
Log Ki (binding)	= 7.5	Displacement of [125I]CCK-8S from human CCK2R	ChEMBL.	17034143
Stabilty (ADMET)	= 2.2 %	Stability in human liver microsome after 30 mins	ChEMBL.	17034143

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: CHEMBL216124
PubChem: 11363465

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 376277