Detailed information for compound 501482

Basic information

Technical information
  • TDR Targets ID: 501482
  • Name: (1R,2R)-2-[4-[4-[(3-fluorophenyl)carbamoylami no]phenyl]benzoyl]cyclopentane-1-carboxylic a cid
  • MW: 446.47 | Formula: C26H23FN2O4
  • H donors: 3 H acceptors: 4 LogP: 4.43 Rotable bonds: 8
    Rule of 5 violations (Lipinski): 1
  • SMILES: O=C(Nc1cccc(c1)F)Nc1ccc(cc1)c1ccc(cc1)C(=O)[C@@H]1CCC[C@H]1C(=O)O
  • InChi: 1S/C26H23FN2O4/c27-19-3-1-4-21(15-19)29-26(33)28-20-13-11-17(12-14-20)16-7-9-18(10-8-16)24(30)22-5-2-6-23(22)25(31)32/h1,3-4,7-15,22-23H,2,5-6H2,(H,31,32)(H2,28,29,33)/t22-,23-/m1/s1
  • InChiKey: OIYCWZRYZVULOR-DHIUTWEWSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • (1R,2R)-2-[4-[4-[(3-fluorophenyl)carbamoylamino]phenyl]benzoyl]cyclopentanecarboxylic acid
  • (1R,2R)-2-[[4-[4-[[(3-fluoroanilino)-oxomethyl]amino]phenyl]phenyl]-oxomethyl]cyclopentanecarboxylic acid
  • (1R,2R)-2-[4-[4-[(3-fluorophenyl)carbamoylamino]phenyl]phenyl]carbonylcyclopentane-1-carboxylic acid
  • (1R,2R)-2-[[4-[4-[[[(3-fluorophenyl)amino]-oxomethyl]amino]phenyl]phenyl]-oxomethyl]-1-cyclopentanecarboxylic acid

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens diacylglycerol O-acyltransferase 1 Starlite/ChEMBL References
Mus musculus diacylglycerol O-acyltransferase 1 Starlite/ChEMBL References

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Cryptosporidium parvum diacylglycerol acyltransferase 1 Get druggable targets OG5_128200 All targets in OG5_128200
Theileria parva diacylglycerol O-acyltransferase, putative Get druggable targets OG5_128200 All targets in OG5_128200
Brugia malayi diacylglycerol acyltransferase Get druggable targets OG5_128200 All targets in OG5_128200
Toxoplasma gondii acyl-CoA:diacylglycerol acyltransferase 1-related enzyme Get druggable targets OG5_128200 All targets in OG5_128200
Neospora caninum sterol O-acyltransferase, putative Get druggable targets OG5_128200 All targets in OG5_128200
Plasmodium knowlesi diacylglycerol O-acyltransferase, putative Get druggable targets OG5_128200 All targets in OG5_128200
Candida albicans Acyl-CoA cholesterol acyltransferase Get druggable targets OG5_128200 All targets in OG5_128200
Plasmodium vivax diacylglycerol O-acyltransferase, putative Get druggable targets OG5_128200 All targets in OG5_128200
Cryptosporidium hominis acyl-CoA:diacylglycerol acyltransferase 1-related enzyme Get druggable targets OG5_128200 All targets in OG5_128200
Babesia bovis diacylglycerol acyltransferase, putative Get druggable targets OG5_128200 All targets in OG5_128200
Plasmodium yoelii acyl transferase-related Get druggable targets OG5_128200 All targets in OG5_128200
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_128200 All targets in OG5_128200
Neospora caninum diacylglycerol acyltransferase, putative Get druggable targets OG5_128200 All targets in OG5_128200
Loa Loa (eye worm) diacylglycerol acyltransferase Get druggable targets OG5_128200 All targets in OG5_128200
Schistosoma japonicum Diacylglycerol O-acyltransferase 1, putative Get druggable targets OG5_128200 All targets in OG5_128200
Schistosoma japonicum Diacylglycerol O-acyltransferase 1, putative Get druggable targets OG5_128200 All targets in OG5_128200
Plasmodium falciparum diacylglycerol O-acyltransferase Get druggable targets OG5_128200 All targets in OG5_128200
Plasmodium berghei diacylglycerol O-acyltransferase, putative Get druggable targets OG5_128200 All targets in OG5_128200
Schistosoma japonicum ko:K00635 diacylglycerol O-acyltransferase [EC2.3.1.20], putative Get druggable targets OG5_128200 All targets in OG5_128200
Candida albicans Acyl-CoA cholesterol acyltransferase Get druggable targets OG5_128200 All targets in OG5_128200
Schistosoma mansoni diacylglycerol O-acyltransferase 1 Get druggable targets OG5_128200 All targets in OG5_128200
Echinococcus multilocularis diacylglycerol O acyltransferase 1 Get druggable targets OG5_128200 All targets in OG5_128200
Toxoplasma gondii acyl-CoA:cholesterol acyltransferase alpha ACAT1-alpha Get druggable targets OG5_128200 All targets in OG5_128200
Echinococcus granulosus diacylglycerol O acyltransferase 1 Get druggable targets OG5_128200 All targets in OG5_128200
By sequence similarity to non orthologous known druggable targets
No druggable targets predicted by sequence similarity
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Trypanosoma brucei heat shock protein, putative 0.0091 0.0042 0.0297
Brugia malayi DNA gyrase/topoisomerase IV, A subunit family protein 0.1363 0.0898 1
Loa Loa (eye worm) hypothetical protein 0.0052 0.0016 0.018
Loa Loa (eye worm) beta-lactamase 0.0037 0.0006 0.0069
Mycobacterium leprae Probable integral membrane indolylacetylinositol arabinosyltransferase EmbB (arabinosylindolylacetylinositol synthase) 1.49 1 1
Onchocerca volvulus Putative DNA topoisomerase 2, mitochondrial 0.1019 0.0667 1
Onchocerca volvulus 0.0031 0.0002 0.0031
Trypanosoma brucei Histidine kinase-, DNA gyrase B-, and HSP90-like ATPase, putative 0.0091 0.0042 0.0297
Giardia lamblia DNA topoisomerase III 0.0138 0.0074 0.0399
Brugia malayi MBOAT family protein 0.0052 0.0016 0.018
Brugia malayi MBOAT family protein 0.0052 0.0016 0.018
Schistosoma mansoni leukocyte receptor cluster (lrc) member 4 protein 0.0052 0.0016 0.018
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0065 0.0025 0.0156
Trypanosoma cruzi developmentally regulated phosphoprotein, putative 0.0091 0.0042 0.0297
Loa Loa (eye worm) beta-LACTamase domain containing family member 0.0037 0.0006 0.0069
Trypanosoma cruzi heat shock protein 90, putative 0.0091 0.0042 0.0297
Echinococcus granulosus lysophospholipid acyltransferase 7 0.0052 0.0016 0.018
Entamoeba histolytica DNA topoisomerase III, putative 0.0138 0.0074 0.0656
Mycobacterium ulcerans two component system response phosphate sensor kinase, PhoR 0.0091 0.0042 0.0036
Schistosoma mansoni heat shock protein 0.0091 0.0042 0.0472
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0065 0.0025 0.0156
Trypanosoma brucei heat shock protein, putative 0.0091 0.0042 0.0297
Mycobacterium ulcerans two component system membrane associated sensor kinase 0.0091 0.0042 0.0036
Leishmania major glycerol uptake protein, putative 0.0052 0.0016 0.0082
Leishmania major developmentally regulated phosphoprotein-like protein 0.0091 0.0042 0.0297
Brugia malayi Endoplasmin precursor 0.0091 0.0042 0.0472
Loa Loa (eye worm) MBOAT family protein 0.0052 0.0016 0.018
Loa Loa (eye worm) DNA topoisomerase III beta-1 0.0138 0.0074 0.0825
Echinococcus granulosus o acyltransferase membrane bound domain 0.0052 0.0016 0.018
Trypanosoma cruzi cysteine peptidase, clan CA, family C1, cathepsin L-like, putative 0.0059 0.0021 0.0125
Entamoeba histolytica DNA topoisomerase III, putative 0.0138 0.0074 0.0656
Trypanosoma brucei heat shock protein, putative 0.0091 0.0042 0.0297
Echinococcus multilocularis o acyltransferase (membrane bound) domain 0.0052 0.0016 0.018
Brugia malayi Probable DNA topoisomerase II 0.1363 0.0898 1
Loa Loa (eye worm) hypothetical protein 0.0614 0.0394 0.4389
Schistosoma mansoni endoplasmin 0.0091 0.0042 0.0472
Loa Loa (eye worm) hypothetical protein 0.0614 0.0394 0.4389
Echinococcus multilocularis heat shock protein 0.0091 0.0042 0.0472
Mycobacterium tuberculosis Two component sensor histidine kinase TrcS 0.0091 0.0042 0.0036
Mycobacterium tuberculosis Integral membrane indolylacetylinositol arabinosyltransferase EmbA (arabinosylindolylacetylinositol synthase) 1.49 1 1
Mycobacterium tuberculosis Possible penicillin-binding protein 0.0234 0.0139 0.0133
Leishmania major DNA topoisomerase III, putative 0.0138 0.0074 0.0557
Leishmania major heat shock protein 83-1 0.0091 0.0042 0.0297
Leishmania major heat shock protein 83-1 0.0091 0.0042 0.0297
Echinococcus granulosus heat shock protein 0.0091 0.0042 0.0472
Toxoplasma gondii DNA topoisomerase 2, putative 0.1363 0.0898 1
Toxoplasma gondii DNA topoisomerase family protein 0.0138 0.0074 0.0804
Trypanosoma cruzi DNA topoisomerase II, putative 0.1225 0.0805 0.6562
Trypanosoma brucei heat shock protein, putative 0.0091 0.0042 0.0297
Brugia malayi beta-lactamase family protein 0.0037 0.0006 0.0069
Mycobacterium leprae Probable two component sensor kinase MprB 0.0091 0.0042 0.0036
Brugia malayi DNA topoisomerase III beta-1 0.0138 0.0074 0.0825
Toxoplasma gondii ATPase/histidine kinase/DNA gyrase B/HSP90 domain-containing protein 0.0091 0.0042 0.045
Trichomonas vaginalis porcupine, putative 0.0052 0.0016 0.0112
Onchocerca volvulus DNA topoisomerase 2 homolog 0.1019 0.0667 1
Mycobacterium tuberculosis Probable two component sensor kinase 0.0091 0.0042 0.0036
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0065 0.0025 0.0156
Leishmania major heat shock protein 83-1 0.0091 0.0042 0.0297
Brugia malayi MBOAT family protein 0.0052 0.0016 0.018
Echinococcus multilocularis beta LACTamase domain containing family member 0.0037 0.0006 0.0069
Loa Loa (eye worm) pre-SET domain-containing protein family protein 0.0213 0.0125 0.1389
Trichomonas vaginalis endoplasmin, putative 0.0091 0.0042 0.0406
Leishmania major heat shock protein 83-1 0.0091 0.0042 0.0297
Echinococcus granulosus DNA topoisomerase 3 alpha 0.0138 0.0074 0.0825
Brugia malayi kinase, mitochondrial precursor 0.0091 0.0042 0.0472
Brugia malayi DNA topoisomerase III 0.0138 0.0074 0.0825
Wolbachia endosymbiont of Brugia malayi DNA gyrase, topoisomerase II, B subunit, GyrB 0.1711 0.1132 1
Leishmania major mitochondrial DNA topoisomerase II 0.1848 0.1224 1
Loa Loa (eye worm) hypothetical protein 0.0146 0.0079 0.0885
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0065 0.0025 0.0156
Mycobacterium tuberculosis Two component sensor histidine kinase PrrB 0.0091 0.0042 0.0036
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0065 0.0025 0.0156
Loa Loa (eye worm) hypothetical protein 0.0037 0.0006 0.0069
Trypanosoma brucei DNA topoisomerase IA, putative 0.0138 0.0074 0.0557
Loa Loa (eye worm) membrane bound O-acyltransferase domain containing 1 0.0052 0.0016 0.018
Trichomonas vaginalis sensory transduction histidine kinase bacterial, putative 0.0091 0.0042 0.0406
Mycobacterium ulcerans two component sensor kinase MprB 0.0091 0.0042 0.0036
Entamoeba histolytica DNA topoisomerase II, putative 0.1363 0.0898 1
Loa Loa (eye worm) diacylglycerol acyltransferase 0.0307 0.0188 0.209
Trypanosoma cruzi cruzipain precursor, putative 0.0065 0.0025 0.0156
Toxoplasma gondii ATPase/histidine kinase/DNA gyrase B/HSP90 domain-containing protein 0.0091 0.0042 0.045
Mycobacterium leprae PUTATIVE TWO COMPONENT SENSOR HISTIDINE KINASE SENX3 0.0091 0.0042 0.0036
Mycobacterium ulcerans two component sensor histidine kinase DevS 0.0091 0.0042 0.0036
Onchocerca volvulus DNA topoisomerase 2 homolog 0.1019 0.0667 1
Brugia malayi glutaminase DH11.1 0.0279 0.0169 0.188
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0065 0.0025 0.0156
Chlamydia trachomatis DNA gyrase subunit A 0.0268 0.0162 0.1095
Loa Loa (eye worm) DNA topoisomerase III 0.0138 0.0074 0.0825
Leishmania major heat shock protein 83-1 0.0091 0.0042 0.0297
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0065 0.0025 0.0156
Mycobacterium tuberculosis Conserved protein 0.0091 0.0042 0.0036
Leishmania major cathepsin L-like protease 0.0065 0.0025 0.0156
Leishmania major heat shock protein 83-1 0.0091 0.0042 0.0297
Echinococcus multilocularis histone lysine methyltransferase setb histone lysine methyltransferase eggless 0.0031 0.0002 0.0023
Onchocerca volvulus 0.0037 0.0006 0.0093
Mycobacterium tuberculosis Two component sensor kinase [second part] 0.0091 0.0042 0.0036
Brugia malayi MBOAT family protein 0.0052 0.0016 0.018
Echinococcus granulosus diacylglycerol O acyltransferase 1 0.0307 0.0188 0.209
Treponema pallidum DNA topoisomerase I (topA) 0.0138 0.0074 0.0519
Trypanosoma brucei heat shock protein 90, putative 0.0091 0.0042 0.0297
Mycobacterium ulcerans DNA topoisomerase I 0.0138 0.0074 0.0068
Echinococcus granulosus DNA topoisomerase 3 beta 1 0.0138 0.0074 0.0825
Mycobacterium leprae Probable DNA gyrase (subunit B) GyrB (DNA topoisomerase (ATP-hydrolysing)) (DNA topoisomerase II) (Type II DNA topoisomerase) 0.0631 0.0406 0.04
Echinococcus granulosus sterol O acyltransferase 1 0.0052 0.0016 0.018
Plasmodium falciparum DNA gyrase subunit B 0.1711 0.1132 1
Loa Loa (eye worm) hypothetical protein 0.0052 0.0016 0.018
Trypanosoma brucei heat shock protein, putative 0.0091 0.0042 0.0297
Trichomonas vaginalis conserved hypothetical protein 0.0052 0.0016 0.0112
Leishmania major heat shock protein 83-1 0.0091 0.0042 0.0297
Mycobacterium tuberculosis DNA gyrase (subunit A) GyrA (DNA topoisomerase (ATP-hydrolysing)) (DNA topoisomerase II) (type II DNA topoisomerase) 0.0613 0.0394 0.0388
Plasmodium vivax diacylglycerol O-acyltransferase, putative 0.0307 0.0188 0.1643
Trypanosoma cruzi DNA topoisomerase III, putative 0.0138 0.0074 0.0557
Echinococcus multilocularis rho GTPase activating protein 20 0.0138 0.0074 0.0825
Plasmodium vivax DNA gyrase subunit B, putative 0.1711 0.1132 1
Trichomonas vaginalis transmembrane protein nessy, putative 0.0052 0.0016 0.0112
Echinococcus multilocularis Pyruvate dehydrogenase (lipoamide) kinase 0.0091 0.0042 0.0472
Leishmania major heat shock protein 83-1 0.0091 0.0042 0.0297
Trypanosoma brucei developmentally regulated phosphoprotein 0.0091 0.0042 0.0297
Chlamydia trachomatis DNA gyrase subunit B 0.1711 0.1132 1
Mycobacterium tuberculosis Two component sensor histidine kinase DevS 0.0091 0.0042 0.0036
Leishmania major hypothetical protein, conserved 0.0052 0.0016 0.0082
Brugia malayi GRF zinc finger family protein 0.0138 0.0074 0.0825
Entamoeba histolytica heat shock protein 90, putative 0.0091 0.0042 0.0297
Mycobacterium ulcerans integral membrane indolylacetylinositol arabinosyltransferase EmbA 1.49 1 1
Loa Loa (eye worm) hypothetical protein 0.0037 0.0006 0.0069
Plasmodium vivax DNA gyrase subunit A, putative 0.0613 0.0394 0.3464
Mycobacterium ulcerans integral membrane indolylacetylinositol arabinosyltransferase EmbC 1.49 1 1
Loa Loa (eye worm) hypothetical protein 0.0255 0.0153 0.1705
Leishmania major hypothetical protein, conserved 0.0091 0.0042 0.0297
Toxoplasma gondii heat shock protein 90, putative 0.0091 0.0042 0.045
Schistosoma mansoni glutaminase 0.0279 0.0169 0.188
Onchocerca volvulus 0.0052 0.0016 0.0243
Echinococcus granulosus Membrane bound O acyl transferase MBOAT 0.0052 0.0016 0.018
Trypanosoma brucei glycerol uptake protein, putative 0.0052 0.0016 0.0082
Plasmodium falciparum diacylglycerol O-acyltransferase 0.0307 0.0188 0.1334
Loa Loa (eye worm) hypothetical protein 0.0037 0.0006 0.0069
Leishmania major heat shock protein 83-1 0.0091 0.0042 0.0297
Giardia lamblia DNA topoisomerase III 0.0138 0.0074 0.0399
Giardia lamblia DNA topoisomerase II 0.1273 0.0837 1
Trypanosoma cruzi mitochondrial DNA topoisomerase II, putative 0.1848 0.1224 1
Brugia malayi beta-lactamase 0.0037 0.0006 0.0069
Loa Loa (eye worm) hypothetical protein 0.0757 0.0491 0.5465
Brugia malayi beta-lactamase family protein 0.0037 0.0006 0.0069
Schistosoma mansoni heat shock protein 0.0091 0.0042 0.0472
Echinococcus multilocularis diacylglycerol O acyltransferase 1 0.0307 0.0188 0.209
Mycobacterium ulcerans two component sensor histidine kinase TrcS 0.0091 0.0042 0.0036
Trichomonas vaginalis heat shock protein, putative 0.0091 0.0042 0.0406
Echinococcus multilocularis DNA topoisomerase 3 beta 1 0.0138 0.0074 0.0825
Trichomonas vaginalis prokaryotic DNA topoisomerase, putative 0.0138 0.0074 0.0761
Trypanosoma cruzi DNA topoisomerase III, putative 0.0138 0.0074 0.0557
Schistosoma mansoni sterol O-acyltransferase 1 0.0052 0.0016 0.018
Schistosoma mansoni o-acyltransferase (membrane bound) domain containing protein 0.0052 0.0016 0.018
Schistosoma mansoni diacylglycerol O-acyltransferase 1 0.0307 0.0188 0.209
Schistosoma mansoni zinc finger protein 0.0052 0.0016 0.018
Loa Loa (eye worm) hypothetical protein 0.0031 0.0002 0.0023
Toxoplasma gondii ATPase/histidine kinase/DNA gyrase B/HSP90 domain-containing protein 0.1237 0.0813 0.9051
Mycobacterium tuberculosis Integral membrane indolylacetylinositol arabinosyltransferase EmbC (arabinosylindolylacetylinositol synthase) 1.49 1 1
Leishmania major heat shock protein 83-1 0.0091 0.0042 0.0297
Trypanosoma brucei Heat shock protein 83, putative 0.0091 0.0042 0.0297
Loa Loa (eye worm) hhat protein 0.0052 0.0016 0.018
Echinococcus multilocularis Membrane bound O acyl transferase, MBOAT 0.0052 0.0016 0.018
Mycobacterium ulcerans DNA gyrase subunit A 0.0613 0.0394 0.0388
Echinococcus granulosus membrane bound acyltransferase:hhat 0.0052 0.0016 0.018
Leishmania major DNA topoisomerase ii 0.1225 0.0805 0.6562
Mycobacterium tuberculosis Two component sensory transduction histidine kinase MtrB 0.0091 0.0042 0.0036
Onchocerca volvulus 0.0138 0.0074 0.1111
Echinococcus multilocularis lysophospholipid acyltransferase 7 0.0052 0.0016 0.018
Mycobacterium tuberculosis Possible two component system response sensor kinase membrane associated PhoR 0.0091 0.0042 0.0036
Brugia malayi heat shock protein 90 0.0091 0.0042 0.0472
Onchocerca volvulus 0.0037 0.0006 0.0093
Trypanosoma brucei DNA topoisomerase III, putative 0.0138 0.0074 0.0557
Echinococcus granulosus 5'partial|histone lysine N methyltransferase SETDB2 0.0029 0.0001 0.0015
Trypanosoma brucei DNA topoisomerase II alpha, putative 0.1225 0.0805 0.6562
Leishmania major glycerol uptake protein, putative 0.0052 0.0016 0.0082
Loa Loa (eye worm) hypothetical protein 0.0052 0.0016 0.018
Trichomonas vaginalis sensor histidine kinase, putative 0.0091 0.0042 0.0406
Leishmania major heat shock protein 83-1 0.0091 0.0042 0.0297
Schistosoma mansoni o-acyltransferase (membrane bound) domain containing protein 0.0052 0.0016 0.018
Schistosoma mansoni histone-lysine n-methyltransferase suv9 0.0031 0.0002 0.0023
Echinococcus granulosus histone lysine methyltransferase setb 0.0031 0.0002 0.0023
Trypanosoma cruzi glycerol uptake protein, putative 0.0052 0.0016 0.0082
Loa Loa (eye worm) glutaminase 2 0.0279 0.0169 0.188
Trichomonas vaginalis prokaryotic DNA topoisomerase, putative 0.0138 0.0074 0.0761
Echinococcus granulosus protein cysteine N palmitoyltransferase 0.0052 0.0016 0.018
Trypanosoma brucei DNA topoisomerase III, putative 0.0138 0.0074 0.0557
Loa Loa (eye worm) TOPoisomerase family member 0.1363 0.0898 1
Leishmania major heat shock protein 83-1 0.0091 0.0042 0.0297
Leishmania major heat shock protein 83-1 0.0091 0.0042 0.0297
Echinococcus multilocularis Pyruvate dehydrogenase (lipoamide) kinase 0.0091 0.0042 0.0472
Loa Loa (eye worm) hypothetical protein 0.0091 0.0042 0.0472
Brugia malayi DNA topoisomerase II, alpha isozyme 0.1363 0.0898 1
Trypanosoma cruzi cysteine peptidase, putative 0.0065 0.0025 0.0156
Toxoplasma gondii acyl-CoA:diacylglycerol acyltransferase 1-related enzyme 0.0307 0.0188 0.2072
Loa Loa (eye worm) MBOAT family protein 0.0052 0.0016 0.018
Toxoplasma gondii DNA topoisomerase domain-containing protein 0.0138 0.0074 0.0804
Mycobacterium tuberculosis DNA gyrase (subunit B) GyrB (DNA topoisomerase (ATP-hydrolysing)) (DNA topoisomerase II) (type II DNA topoisomerase) 0.1711 0.1132 0.1127
Brugia malayi diacylglycerol acyltransferase 0.0307 0.0188 0.209
Brugia malayi Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative 0.0037 0.0006 0.0069
Leishmania major DNA topoisomerase 1A 0.0138 0.0074 0.0557
Trichomonas vaginalis heat shock protein, putative 0.0091 0.0042 0.0406
Trypanosoma brucei glycerol uptake protein, putative 0.0052 0.0016 0.0082
Chlamydia trachomatis DNA gyrase subunit B 0.1226 0.0806 0.7006
Trypanosoma cruzi glycerol uptake protein, putative 0.0052 0.0016 0.0082
Plasmodium vivax endoplasmin, putative 0.0091 0.0042 0.0357
Mycobacterium leprae Probable integral membrane indolylacetylinositol arabinosyltransferase EmbC (arabinosylindolylacetylinositol synthase) 1.49 1 1
Plasmodium vivax hypothetical protein, conserved 0.0091 0.0042 0.0357
Mycobacterium tuberculosis Integral membrane indolylacetylinositol arabinosyltransferase EmbB (arabinosylindolylacetylinositol synthase) 1.49 1 1
Mycobacterium ulcerans two component sensor histidine kinase PrrB 0.0091 0.0042 0.0036
Trypanosoma brucei DNA topoisomerase ii 0.1848 0.1224 1
Echinococcus multilocularis histone lysine N methyltransferase SETMAR 0.0031 0.0002 0.0023
Echinococcus granulosus heat shock protein 90 0.0091 0.0042 0.0472
Mycobacterium tuberculosis Possible two component sensor kinase TcrY 0.0091 0.0042 0.0036
Schistosoma mansoni prokaryotic DNA topoisomerase 0.0138 0.0074 0.0825
Schistosoma mansoni endoplasmin 0.0091 0.0042 0.0472
Trichomonas vaginalis sensory transduction histidine kinase, putative 0.0091 0.0042 0.0406
Trypanosoma cruzi heat shock protein 85, putative 0.0091 0.0042 0.0297
Schistosoma mansoni pyruvate dehydrogenase 0.0091 0.0042 0.0472
Loa Loa (eye worm) glutaminase 0.0279 0.0169 0.188
Loa Loa (eye worm) hypothetical protein 0.0037 0.0006 0.0069
Echinococcus multilocularis o acyltransferase (membrane bound) domain 0.0052 0.0016 0.018
Loa Loa (eye worm) heat shock protein 90 0.0091 0.0042 0.0472
Leishmania major glycerol uptake protein, putative 0.0052 0.0016 0.0082
Leishmania major heat shock protein 83-1 0.0091 0.0042 0.0297
Echinococcus granulosus o acyltransferase membrane bound domain 0.0052 0.0016 0.018
Trypanosoma cruzi major cysteine proteinase, putative 0.0051 0.0016 0.008
Loa Loa (eye worm) hypothetical protein 0.0757 0.0491 0.5465
Loa Loa (eye worm) endoplasmin 0.0091 0.0042 0.0472
Plasmodium vivax DNA topoisomerase II, putative 0.1363 0.0898 0.7927
Mycobacterium ulcerans two component sensory transduction histidine kinase MtrB 0.0091 0.0042 0.0036
Brugia malayi Hhat protein 0.0052 0.0016 0.018
Plasmodium falciparum DNA gyrase subunit A 0.0613 0.0394 0.3222
Treponema pallidum DNA gyrase, subunit A (gyrA) 0.0613 0.0394 0.3381
Trichomonas vaginalis glutaminase, putative 0.0279 0.0169 0.1824
Trichomonas vaginalis receptor histidine kinase, putative 0.0091 0.0042 0.0406
Trypanosoma brucei heat shock protein, putative 0.0091 0.0042 0.0297
Mycobacterium ulcerans glutaminase 0.0279 0.0169 0.0163
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0065 0.0025 0.0156
Schistosoma mansoni hypothetical protein 0.0052 0.0016 0.018
Schistosoma mansoni DNA topoisomerase II 0.1363 0.0898 1
Echinococcus multilocularis sterol O acyltransferase 1 0.0052 0.0016 0.018
Trichomonas vaginalis DNA topoisomerase II, putative 0.1363 0.0898 1
Echinococcus multilocularis o acyltransferase (membrane bound) domain 0.0052 0.0016 0.018
Leishmania major heat shock protein 83-1 0.0091 0.0042 0.0297
Trypanosoma cruzi cysteine peptidase, putative 0.0065 0.0025 0.0156
Trichomonas vaginalis receptor histidine kinase, putative 0.0091 0.0042 0.0406
Treponema pallidum DNA gyrase, subunit B (gyrB) 0.1711 0.1132 1
Mycobacterium leprae Probable DNA gyrase (subunit A) GyrA (DNA topoisomerase (ATP-hydrolysing)) (DNA topoisomerase II) (Type II DNA topoisomerase) 0.0183 0.0105 0.0099
Chlamydia trachomatis DNA topoisomerase I 0.0138 0.0074 0.0291
Trichomonas vaginalis two component sensor and regulator histidine kinase bacteria, putative 0.0091 0.0042 0.0406
Toxoplasma gondii ABC1 family protein 0.0037 0.0006 0.0046
Trypanosoma cruzi heat shock protein 90, putative 0.0091 0.0042 0.0297
Leishmania major cathepsin L-like protease 0.0065 0.0025 0.0156
Echinococcus multilocularis protein cysteine N palmitoyltransferase 0.0052 0.0016 0.018
Toxoplasma gondii heat shock protein HSP90 0.0091 0.0042 0.045
Leishmania major cathepsin L-like protease 0.0065 0.0025 0.0156
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0031 0.0002 0.0023
Schistosoma mansoni hypothetical protein 0.0173 0.0098 0.1087
Entamoeba histolytica heat shock protein 90, putative 0.0091 0.0042 0.0297
Leishmania major DNA topoisomerase III, putative 0.0138 0.0074 0.0557
Toxoplasma gondii hypothetical protein 0.0052 0.0016 0.0158
Loa Loa (eye worm) hypothetical protein 0.0037 0.0006 0.0069
Trypanosoma brucei heat shock protein, putative 0.0091 0.0042 0.0297
Leishmania major glycerol uptake protein, putative 0.0052 0.0016 0.0082
Trypanosoma cruzi cysteine peptidase, putative 0.0065 0.0025 0.0156
Trypanosoma brucei heat shock protein 90, putative 0.0091 0.0042 0.0297
Trypanosoma cruzi GUP1, putative 0.0052 0.0016 0.0082
Mycobacterium leprae TWO COMPONENT SENSOR HISTIDINE KINASE PRRB 0.0091 0.0042 0.0036
Echinococcus multilocularis heat shock protein 90 0.0091 0.0042 0.0472
Loa Loa (eye worm) hypothetical protein 0.0052 0.0016 0.018
Mycobacterium leprae Probable two-component sensor kinase 0.0091 0.0042 0.0036
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0065 0.0025 0.0156
Loa Loa (eye worm) hypothetical protein 0.0146 0.0079 0.0885
Mycobacterium ulcerans two component sensor histidine kinase SenX3 0.0091 0.0042 0.0036
Trypanosoma cruzi heat shock protein 85, putative 0.0091 0.0042 0.0297
Wolbachia endosymbiont of Brugia malayi topoisomerase IA, TopA 0.0138 0.0074 0.0291
Echinococcus granulosus beta LACTamase domain containing family member 0.0037 0.0006 0.0069
Echinococcus granulosus o acyltransferase membrane bound domain 0.0052 0.0016 0.018
Leishmania major glycerol uptake protein, putative 0.0052 0.0016 0.0082
Toxoplasma gondii DNA gyrase/topoisomerase IV, A subunit domain-containing protein 0.0613 0.0394 0.437
Trypanosoma cruzi DNA topoisomerase IA, putative 0.0138 0.0074 0.0557
Trypanosoma cruzi heat shock protein 85, putative 0.0091 0.0042 0.0297
Onchocerca volvulus 0.0037 0.0006 0.0093
Loa Loa (eye worm) hypothetical protein 0.0146 0.0079 0.0885
Loa Loa (eye worm) hhat protein 0.0052 0.0016 0.018
Schistosoma mansoni hypothetical protein 0.0173 0.0098 0.1087
Echinococcus multilocularis atpase aaa+ type core atpase aaa type core 0.0826 0.0537 0.5981
Trichomonas vaginalis conserved hypothetical protein 0.0052 0.0016 0.0112
Trypanosoma cruzi GUP1, putative 0.0052 0.0016 0.0082
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0065 0.0025 0.0156
Echinococcus granulosus geminin 0.0173 0.0098 0.1087
Echinococcus granulosus Pyruvate dehydrogenase lipoamide kinase 0.0091 0.0042 0.0472
Echinococcus multilocularis DNA topoisomerase 2 alpha 0.1363 0.0898 1
Trypanosoma cruzi DNA topoisomerase II, putative 0.1225 0.0805 0.6562
Schistosoma mansoni prokaryotic DNA topoisomerase 0.0138 0.0074 0.0825
Onchocerca volvulus 0.0242 0.0145 0.2167
Loa Loa (eye worm) MBOAT family protein 0.0052 0.0016 0.018
Trypanosoma cruzi DNA topoisomerase IA, putative 0.0138 0.0074 0.0557
Plasmodium vivax heat shock protein 86, putative 0.0091 0.0042 0.0357
Brugia malayi Pre-SET motif family protein 0.0213 0.0125 0.1389
Trichomonas vaginalis set domain proteins, putative 0.0242 0.0145 0.1551
Schistosoma mansoni membrane-bound acyltransferase/hhat 0.0052 0.0016 0.018
Trypanosoma cruzi mitochondrial DNA topoisomerase II, putative 0.1848 0.1224 1
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0031 0.0002 0.0023
Trypanosoma brucei DNA topoisomerase II beta, putative 0.1225 0.0805 0.6562
Wolbachia endosymbiont of Brugia malayi DNA gyrase subunit A 0.0613 0.0394 0.3222
Echinococcus multilocularis membrane bound acyltransferase:hhat 0.0052 0.0016 0.018
Plasmodium falciparum DNA topoisomerase 3, putative 0.0138 0.0074 0.0291
Trypanosoma cruzi glycerol uptake protein, putative 0.0052 0.0016 0.0082
Trichomonas vaginalis sensory transduction histidine kinase bacterial, putative 0.0091 0.0042 0.0406
Mycobacterium ulcerans sensor kinase from two component regulatory system 0.0091 0.0042 0.0036
Treponema pallidum chemotaxis histidine kinase (cheA) 0.0091 0.0042 0.0235
Plasmodium falciparum DNA topoisomerase 2 0.1363 0.0898 0.7851
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0037 0.0006 0.0069
Mycobacterium leprae Probable DNA topoisomerase I TopA (omega-protein) (relaxing enzyme) (untwisting enzyme) (swivelase) (type I DNA topoisomerase) ( 0.0138 0.0074 0.0068
Trypanosoma cruzi Heat shock protein 83, putative 0.0091 0.0042 0.0297
Mycobacterium tuberculosis Probable sensor protein KdpD 0.0091 0.0042 0.0036
Loa Loa (eye worm) hypothetical protein 0.0037 0.0006 0.0069
Trichomonas vaginalis mismatch repair protein Mlh1C (mutL homolog) 0.0091 0.0042 0.0406
Mycobacterium ulcerans putative regultory protein 0.0091 0.0042 0.0036
Chlamydia trachomatis DNA gyrase subunit A 0.0613 0.0394 0.3222
Toxoplasma gondii acyl-CoA:cholesterol acyltransferase alpha ACAT1-alpha 0.0307 0.0188 0.2072
Plasmodium vivax DNA topoisomerase 3, putative 0.0138 0.0074 0.0637
Mycobacterium ulcerans two component regulator - sensor kinase 0.0091 0.0042 0.0036
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0037 0.0006 0.0069
Trypanosoma brucei heat shock protein, putative 0.0091 0.0042 0.0297
Brugia malayi MBOAT family protein 0.0052 0.0016 0.018
Mycobacterium ulcerans DNA gyrase subunit B 0.1711 0.1132 0.1127
Plasmodium vivax hypothetical protein, conserved 0.0037 0.0006 0.0037
Leishmania major heat shock protein 83-1 0.0091 0.0042 0.0297
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0065 0.0025 0.0156
Trypanosoma cruzi Histidine kinase-, DNA gyrase B-, and HSP90-like ATPase, putative 0.0091 0.0042 0.0297
Echinococcus multilocularis geminin 0.0173 0.0098 0.1087
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0031 0.0002 0.0023
Mycobacterium ulcerans integral membrane indolylacetylinositol arabinosyltransferase EmbB 1.49 1 1
Trichomonas vaginalis conserved hypothetical protein 0.0052 0.0016 0.0112
Trypanosoma cruzi DNA topoisomerase III, putative 0.0138 0.0074 0.0557
Schistosoma mansoni o-acyltransferase (membrane bound) domain containing protein 0.0052 0.0016 0.018
Brugia malayi Pre-SET motif family protein 0.0031 0.0002 0.0023
Leishmania major heat shock protein 83-1 0.0091 0.0042 0.0297
Echinococcus granulosus DNA topoisomerase 2 alpha 0.1363 0.0898 1
Mycobacterium tuberculosis Two component sensor kinase MprB 0.0091 0.0042 0.0036
Mycobacterium tuberculosis Possible two component sensor kinase 0.0091 0.0042 0.0036
Mycobacterium tuberculosis Two component sensor histidine kinase DosT 0.0091 0.0042 0.0036

Activities

Activity type Activity value Assay description Source Reference
IC50 (binding) = 0.011 uM Inhibition of human recombinant DGAT1 expressed in Sf9 cells ChEMBL. 18183944
IC50 (binding) = 0.011 uM Inhibition of human recombinant DGAT1 expressed in Sf9 cells ChEMBL. 18183944
IC50 (binding) = 0.039 uM Inhibition of mouse recombinant DGAT1 expressed in Sf9 cells ChEMBL. 18183944
IC50 (binding) = 0.039 uM Inhibition of mouse recombinant DGAT1 expressed in Sf9 cells ChEMBL. 18183944

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.
 
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External resources for this compound

Bibliographic References

1 literature reference was collected for this gene.

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