Detailed information for compound 261374

Basic information

Technical information
  • TDR Targets ID: 261374
  • Name: (4-phenylphenyl)methyl 2-(4-bromophenyl)-6-ch loro-8-methylquinoline-4-carboxylate
  • MW: 542.85 | Formula: C30H21BrClNO2
  • H donors: 0 H acceptors: 2 LogP: 8.51 Rotable bonds: 6
    Rule of 5 violations (Lipinski): 2
  • SMILES: Clc1cc(C)c2c(c1)c(cc(n2)c1ccc(cc1)Br)C(=O)OCc1ccc(cc1)c1ccccc1
  • InChi: 1S/C30H21BrClNO2/c1-19-15-25(32)16-26-27(17-28(33-29(19)26)23-11-13-24(31)14-12-23)30(34)35-18-20-7-9-22(10-8-20)21-5-3-2-4-6-21/h2-17H,18H2,1H3
  • InChiKey: NJLFIHLPSYNLGF-UHFFFAOYSA-N  

Network

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Synonyms

  • (4-phenylphenyl)methyl 2-(4-bromophenyl)-6-chloro-8-methyl-quinoline-4-carboxylate
  • 2-(4-bromophenyl)-6-chloro-8-methyl-4-quinolinecarboxylic acid (4-phenylphenyl)methyl ester
  • 2-(4-bromophenyl)-6-chloro-8-methyl-cinchonin (4-phenylbenzyl) ester
  • 2-(4-bromophenyl)-6-chloro-8-methyl-cinchoninic acid (4-phenylbenzyl) ester
  • AIDS228078
  • 4-Quinolinecarboxylic acid, 2-(4-bromophenyl)-6-chloro-8-methyl-, [1,1'-biphenyl]-4-ylmethyl ester
  • AIDS-228078

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Candida albicans Prolyl-tRNA synthetase Starlite/ChEMBL References

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Mycobacterium tuberculosis Probable prolyl-tRNA synthetase ProS (proline--tRNA ligase) (PRORS) (global RNA synthesis factor) (proline translase) Get druggable targets OG5_128299 All targets in OG5_128299
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_128299 All targets in OG5_128299
Wolbachia endosymbiont of Brugia malayi prolyl-tRNA synthetase Get druggable targets OG5_128299 All targets in OG5_128299
Plasmodium vivax proline--tRNA ligase, putative Get druggable targets OG5_128299 All targets in OG5_128299
Plasmodium yoelii prolyl-tRNA synthetase-related Get druggable targets OG5_128299 All targets in OG5_128299
Brugia malayi probable proline-trna synthetase - fission yeast, putative Get druggable targets OG5_128299 All targets in OG5_128299
Babesia bovis tRNA synthetase class II core domain containing protein Get druggable targets OG5_128299 All targets in OG5_128299
Treponema pallidum prolyl-tRNA synthetase Get druggable targets OG5_128299 All targets in OG5_128299
Theileria parva prolyl-tRNA synthetase, putative Get druggable targets OG5_128299 All targets in OG5_128299
Schistosoma mansoni prolyl-tRNA synthetase Get druggable targets OG5_128299 All targets in OG5_128299
Mycobacterium ulcerans prolyl-tRNA synthetase Get druggable targets OG5_128299 All targets in OG5_128299
Plasmodium knowlesi proline--tRNA ligase, putative Get druggable targets OG5_128299 All targets in OG5_128299
Plasmodium berghei proline--tRNA ligase, putative Get druggable targets OG5_128299 All targets in OG5_128299
Plasmodium falciparum proline--tRNA ligase, putative Get druggable targets OG5_128299 All targets in OG5_128299
Echinococcus multilocularis prolyl tRNA synthetase, mitochondrial Get druggable targets OG5_128299 All targets in OG5_128299
Brugia malayi Met-10+ like-protein Get druggable targets OG5_128299 All targets in OG5_128299
Schistosoma japonicum ko:K01881 prolyl-tRNA synthetase [EC6.1.1.15], putative Get druggable targets OG5_128299 All targets in OG5_128299
Echinococcus granulosus prolyl tRNA synthetase mitochondrial Get druggable targets OG5_128299 All targets in OG5_128299
Chlamydia trachomatis proline--tRNA ligase Get druggable targets OG5_128299 All targets in OG5_128299
Schistosoma japonicum Probable prolyl-tRNA synthetase, mitochondrial precursor, putative Get druggable targets OG5_128299 All targets in OG5_128299

By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Leishmania braziliensis threonyl-tRNA synthetase, putative Prolyl-tRNA synthetase   575 aa 501 aa 18.4 %
Leishmania donovani threonyl-tRNA synthetase, putative Prolyl-tRNA synthetase   575 aa 498 aa 18.3 %
Leishmania mexicana threonyl-tRNA synthetase, putative Prolyl-tRNA synthetase   575 aa 482 aa 18.3 %
Leishmania major threonyl-tRNA synthetase, putative Prolyl-tRNA synthetase   575 aa 477 aa 18.2 %

Obtained from network model

Ranking Plot


Putative Targets List


Species Potential target Raw Global Species
Leishmania major diacylglycerol acyltransferase, putative 0.0199 0.0267 0.1996
Entamoeba histolytica membrane-bound O-acyltransferase (MBOAT ) family protein 0.0053 0.0043 1
Schistosoma mansoni nuclear hormone receptor superfamily protein-related 0.0222 0.0303 0.0303
Echinococcus multilocularis thioredoxin glutathione reductase 0.0039 0.0022 0.0022
Mycobacterium ulcerans hypothetical protein 0.0199 0.0267 1
Loa Loa (eye worm) diacylglycerol acyltransferase 0.0897 0.1338 0.1338
Loa Loa (eye worm) hhat protein 0.0053 0.0043 0.0043
Schistosoma mansoni tar DNA-binding protein 0.0057 0.005 0.005
Leishmania major glycerol uptake protein, putative 0.0053 0.0043 0.0324
Echinococcus granulosus diacylglycerol O acyltransferase 1 0.0315 0.0445 0.0445
Trypanosoma cruzi glycerol uptake protein, putative 0.0053 0.0043 0.0324
Echinococcus multilocularis o acyltransferase (membrane bound) domain 0.0053 0.0043 0.0043
Schistosoma mansoni diacylglycerol O-acyltransferase 1 0.0315 0.0445 0.0445
Schistosoma mansoni sterol O-acyltransferase 1 0.0053 0.0043 0.0043
Echinococcus granulosus lysophospholipid acyltransferase 7 0.0053 0.0043 0.0043
Mycobacterium tuberculosis Probable NADH dehydrogenase Ndh 0.0089 0.0099 0.4101
Trypanosoma brucei glycerol uptake protein, putative 0.0053 0.0043 0.0324
Brugia malayi diacylglycerol acyltransferase 0.0315 0.0445 0.0445
Mycobacterium tuberculosis Probable reductase 0.0089 0.0099 0.4101
Wolbachia endosymbiont of Brugia malayi prolyl-tRNA synthetase 0.0045 0.0032 0.5
Leishmania major glycerol uptake protein, putative 0.0053 0.0043 0.0324
Echinococcus granulosus membrane bound acyltransferase:hhat 0.0053 0.0043 0.0043
Trypanosoma brucei trypanothione reductase 0.0039 0.0022 0.0167
Toxoplasma gondii mono- or diacylglycerol acyltransferase 0.0199 0.0267 0.1996
Leishmania major glycerol uptake protein, putative 0.0053 0.0043 0.0324
Loa Loa (eye worm) hhat protein 0.0053 0.0043 0.0043
Plasmodium falciparum diacylglycerol O-acyltransferase 0.0315 0.0445 1
Echinococcus granulosus sterol O acyltransferase 1 0.0053 0.0043 0.0043
Mycobacterium tuberculosis NAD(P)H quinone reductase LpdA 0.0099 0.0115 0.4834
Trypanosoma brucei diacylglycerol acyltransferase, putative 0.0897 0.1338 1
Echinococcus granulosus alpha 16 mannosyl glycoprotein 0.6543 1 1
Mycobacterium tuberculosis Probable oxidoreductase 0.0099 0.0115 0.4834
Loa Loa (eye worm) hypothetical protein 0.6543 1 1
Toxoplasma gondii thioredoxin reductase 0.0039 0.0022 0.0167
Echinococcus granulosus protein cysteine N palmitoyltransferase 0.0053 0.0043 0.0043
Echinococcus multilocularis tar DNA binding protein 0.0057 0.005 0.005
Echinococcus granulosus o acyltransferase membrane bound domain 0.0053 0.0043 0.0043
Echinococcus granulosus o acyltransferase membrane bound domain 0.0053 0.0043 0.0043
Brugia malayi diacylglycerol acyltransferase family protein 0.0897 0.1338 0.1338
Brugia malayi MBOAT family protein 0.0053 0.0043 0.0043
Trypanosoma cruzi diacylglycerol acyltransferase, putative 0.0199 0.0267 0.1996
Echinococcus multilocularis protein cysteine N palmitoyltransferase 0.0053 0.0043 0.0043
Plasmodium vivax diacylglycerol O-acyltransferase, putative 0.0315 0.0445 1
Loa Loa (eye worm) hypothetical protein 0.0045 0.0032 0.0032
Loa Loa (eye worm) MBOAT family protein 0.0053 0.0043 0.0043
Treponema pallidum alginate O-acetylation protein (algI) 0.0053 0.0043 1
Loa Loa (eye worm) thioredoxin reductase 0.0039 0.0022 0.0022
Trypanosoma cruzi GUP1, putative 0.0053 0.0043 0.0324
Loa Loa (eye worm) TAR-binding protein 0.0057 0.005 0.005
Mycobacterium ulcerans prolyl-tRNA synthetase 0.0045 0.0032 0.1197
Leishmania major diacylglycerol acyltransferase, putative 0.0199 0.0267 0.1996
Entamoeba histolytica membrane-bound O-acyltransferase (MBOAT ) family protein 0.0053 0.0043 1
Echinococcus multilocularis prolyl tRNA synthetase, mitochondrial 0.0038 0.0021 0.0021
Loa Loa (eye worm) hypothetical protein 0.0053 0.0043 0.0043
Mycobacterium tuberculosis Probable epoxide hydrolase EphA (epoxide hydratase) (arene-oxide hydratase) 0.017 0.0223 1
Schistosoma mansoni leukocyte receptor cluster (lrc) member 4 protein 0.0053 0.0043 0.0043
Schistosoma mansoni hypothetical protein 0.0199 0.0267 0.0267
Trichomonas vaginalis conserved hypothetical protein 0.0092 0.0104 1
Mycobacterium tuberculosis NADPH-dependent mycothiol reductase Mtr 0.0039 0.0022 0.041
Loa Loa (eye worm) hypothetical protein 0.0053 0.0043 0.0043
Trichomonas vaginalis porcupine, putative 0.0053 0.0043 0.4184
Trichomonas vaginalis conserved hypothetical protein 0.0092 0.0104 1
Echinococcus granulosus leukotriene A 4 hydrolase 0.0464 0.0673 0.0673
Schistosoma mansoni diacylglycerol O-acyltransferase 1 0.0897 0.1338 0.1338
Schistosoma mansoni tar DNA-binding protein 0.0057 0.005 0.005
Leishmania major trypanothione reductase 0.0039 0.0022 0.0167
Brugia malayi MBOAT family protein 0.0053 0.0043 0.0043
Trypanosoma brucei glycerol uptake protein, putative 0.0053 0.0043 0.0324
Echinococcus multilocularis diacylglycerol O acyltransferase 1 0.0315 0.0445 0.0445
Mycobacterium tuberculosis Probable nitrite reductase [NAD(P)H] large subunit [FAD flavoprotein] NirB 0.0089 0.0099 0.4101
Trypanosoma cruzi trypanothione reductase, putative 0.0039 0.0022 0.0167
Brugia malayi Met-10+ like-protein 0.0034 0.0014 0.0014
Loa Loa (eye worm) RNA binding protein 0.0057 0.005 0.005
Loa Loa (eye worm) hypothetical protein 0.0262 0.0364 0.0364
Brugia malayi RNA binding protein 0.0057 0.005 0.005
Trypanosoma cruzi diacylglycerol acyltransferase, putative 0.0199 0.0267 0.1996
Schistosoma mansoni hypothetical protein 0.0053 0.0043 0.0043
Toxoplasma gondii acyl-CoA:cholesterol acyltransferase alpha ACAT1-alpha 0.0315 0.0445 0.3326
Echinococcus granulosus tar DNA binding protein 0.0057 0.005 0.005
Entamoeba histolytica vacuolar protein sorting 26 0.0053 0.0043 1
Echinococcus multilocularis leukotriene A 4 hydrolase 0.0464 0.0673 0.0673
Plasmodium vivax thioredoxin reductase, putative 0.0039 0.0022 0.0503
Echinococcus granulosus prolyl tRNA synthetase mitochondrial 0.0038 0.0021 0.0021
Entamoeba histolytica hypothetical protein, conserved 0.0053 0.0043 1
Brugia malayi Thioredoxin reductase 0.0039 0.0022 0.0022
Loa Loa (eye worm) hypothetical protein 0.0053 0.0043 0.0043
Entamoeba histolytica membrane-bound O-acyltransferase (MBOAT ) family protein 0.0053 0.0043 1
Toxoplasma gondii hypothetical protein 0.0036 0.0017 0.013
Plasmodium vivax glutathione reductase, putative 0.0039 0.0022 0.0503
Mycobacterium tuberculosis Probable membrane NADH dehydrogenase NdhA 0.0089 0.0099 0.4101
Brugia malayi MBOAT family protein 0.0053 0.0043 0.0043
Loa Loa (eye worm) MBOAT family protein 0.0053 0.0043 0.0043
Schistosoma mansoni membrane-bound acyltransferase/hhat 0.0053 0.0043 0.0043
Echinococcus granulosus Membrane bound O acyl transferase MBOAT 0.0053 0.0043 0.0043
Trypanosoma cruzi GUP1, putative 0.0053 0.0043 0.0324
Mycobacterium tuberculosis Dihydrolipoamide dehydrogenase LpdC (lipoamide reductase (NADH)) (lipoyl dehydrogenase) (dihydrolipoyl dehydrogenase) (diaphoras 0.0099 0.0115 0.4834
Echinococcus multilocularis o acyltransferase (membrane bound) domain 0.0053 0.0043 0.0043
Schistosoma mansoni leukotriene A4 hydrolase (M01 family) 0.0464 0.0673 0.0673
Echinococcus granulosus o acyltransferase membrane bound domain 0.0053 0.0043 0.0043
Trichomonas vaginalis conserved hypothetical protein 0.0092 0.0104 1
Trichomonas vaginalis conserved hypothetical protein 0.0092 0.0104 1
Schistosoma mansoni o-acyltransferase (membrane bound) domain containing protein 0.0053 0.0043 0.0043
Loa Loa (eye worm) glutathione reductase 0.0039 0.0022 0.0022
Loa Loa (eye worm) diacylglycerol acyltransferase 0.0315 0.0445 0.0445
Leishmania major glycerol uptake protein, putative 0.0053 0.0043 0.0324
Brugia malayi probable proline-trna synthetase - fission yeast, putative 0.0045 0.0032 0.0032
Onchocerca volvulus 0.0053 0.0043 0.0324
Loa Loa (eye worm) leukotriene A4 hydrolase 0.0464 0.0673 0.0673
Trypanosoma cruzi glycerol uptake protein, putative 0.0053 0.0043 0.0324
Trichomonas vaginalis conserved hypothetical protein 0.0092 0.0104 1
Echinococcus multilocularis Membrane bound O acyl transferase, MBOAT 0.0053 0.0043 0.0043
Trypanosoma cruzi glycerol uptake protein, putative 0.0053 0.0043 0.0324
Trichomonas vaginalis conserved hypothetical protein 0.0053 0.0043 0.4184
Leishmania major hypothetical protein, unknown function,protein, unknown function 0.0199 0.0267 0.1996
Toxoplasma gondii dgat2l1-prov protein 0.0897 0.1338 1
Trichomonas vaginalis transmembrane protein nessy, putative 0.0053 0.0043 0.4184
Trichomonas vaginalis conserved hypothetical protein 0.0092 0.0104 1
Toxoplasma gondii acyl-CoA:diacylglycerol acyltransferase 1-related enzyme 0.0315 0.0445 0.3326
Schistosoma mansoni o-acyltransferase (membrane bound) domain containing protein 0.0053 0.0043 0.0043
Trichomonas vaginalis conserved hypothetical protein 0.0053 0.0043 0.4184
Echinococcus multilocularis alpha 1,6 mannosyl glycoprotein 0.6543 1 1
Brugia malayi TAR-binding protein 0.0057 0.005 0.005
Loa Loa (eye worm) membrane bound O-acyltransferase domain containing 1 0.0053 0.0043 0.0043
Schistosoma mansoni tar DNA-binding protein 0.0057 0.005 0.005
Trypanosoma cruzi diacylglycerol acyltransferase, putative 0.0199 0.0267 0.1996
Brugia malayi MBOAT family protein 0.0053 0.0043 0.0043
Trichomonas vaginalis conserved hypothetical protein 0.0056 0.0048 0.4676
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0057 0.005 0.005
Brugia malayi RNA recognition motif domain containing protein 0.0057 0.005 0.005
Leishmania major glycerol uptake protein, putative 0.0053 0.0043 0.0324
Trichomonas vaginalis conserved hypothetical protein 0.0092 0.0104 1
Trypanosoma cruzi diacylglycerol acyltransferase, putative 0.0897 0.1338 1
Trypanosoma cruzi diacylglycerol acyltransferase, putative 0.0199 0.0267 0.1996
Schistosoma mansoni tar DNA-binding protein 0.0057 0.005 0.005
Plasmodium vivax proline--tRNA ligase, putative 0.0038 0.0021 0.0473
Schistosoma mansoni prolyl-tRNA synthetase 0.0038 0.0021 0.0021
Plasmodium falciparum thioredoxin reductase 0.0039 0.0022 0.0503
Brugia malayi hypothetical protein 0.0213 0.0289 0.0289
Echinococcus multilocularis sterol O acyltransferase 1 0.0053 0.0043 0.0043
Loa Loa (eye worm) MBOAT family protein 0.0053 0.0043 0.0043
Brugia malayi Hhat protein 0.0053 0.0043 0.0043
Echinococcus granulosus thioredoxin glutathione reductase 0.0039 0.0022 0.0022
Leishmania major diacylglycerol acyltransferase, putative 0.0897 0.1338 1
Schistosoma mansoni diacylglycerol O-acyltransferase 0.0199 0.0267 0.0267
Mycobacterium ulcerans epoxide hydrolase EphA 0.017 0.0223 0.834
Schistosoma mansoni zinc finger protein 0.0053 0.0043 0.0043
Trichomonas vaginalis conserved hypothetical protein 0.0092 0.0104 1
Schistosoma mansoni tar DNA-binding protein 0.0057 0.005 0.005
Mycobacterium tuberculosis Putative ferredoxin reductase 0.0089 0.0099 0.4101
Trichomonas vaginalis conserved hypothetical protein 0.0053 0.0043 0.4184
Plasmodium falciparum proline--tRNA ligase, putative 0.0038 0.0021 0.0473
Brugia malayi MBOAT family protein 0.0053 0.0043 0.0043
Chlamydia trachomatis proline--tRNA ligase 0.0045 0.0032 0.5
Echinococcus multilocularis lysophospholipid acyltransferase 7 0.0053 0.0043 0.0043
Toxoplasma gondii hypothetical protein 0.0053 0.0043 0.0324
Echinococcus multilocularis membrane bound acyltransferase:hhat 0.0053 0.0043 0.0043
Mycobacterium tuberculosis Probable dehydrogenase 0.0089 0.0099 0.4101
Schistosoma mansoni o-acyltransferase (membrane bound) domain containing protein 0.0053 0.0043 0.0043
Trypanosoma cruzi diacylglycerol acyltransferase, putative 0.0897 0.1338 1
Schistosoma mansoni beta-12-n-acetylglucosaminyltransferase II 0.6543 1 1
Toxoplasma gondii diacylglycerol acyltransferase 0.0199 0.0267 0.1996
Trypanosoma brucei diacylglycerol acyltransferase, putative 0.0199 0.0267 0.1996
Mycobacterium leprae DIHYDROLIPOAMIDE DEHYDROGENASE LPD (LIPOAMIDE REDUCTASE (NADH)) (LIPOYL DEHYDROGENASE) (DIHYDROLIPOYL DEHYDROGENASE) (DIAPHORASE 0.0099 0.0115 1
Loa Loa (eye worm) hypothetical protein 0.0053 0.0043 0.0043
Onchocerca volvulus 0.0897 0.1338 1
Entamoeba histolytica hypothetical protein 0.0053 0.0043 1
Leishmania major hypothetical protein, conserved 0.0053 0.0043 0.0324
Schistosoma mansoni diacylglycerol O-acyltransferase 0.0199 0.0267 0.0267
Echinococcus multilocularis o acyltransferase (membrane bound) domain 0.0053 0.0043 0.0043
Brugia malayi glutathione reductase 0.0039 0.0022 0.0022
Plasmodium falciparum glutathione reductase 0.0039 0.0022 0.0503

Activities

Activity type Activity value Assay description Source Reference
IC50 (binding) = 8.8 uM Aminoacylation activity against Candida albicans prolyl-tRNA synthetase ChEMBL. 11229766
IC50 (binding) = 8.8 uM Aminoacylation activity against Candida albicans prolyl-tRNA synthetase ChEMBL. 11229766
IC50 (binding) > 100 uM Aminoacylation activity against human prolyl-tRNA synthetase ChEMBL. 11229766
IC50 (binding) > 100 uM Aminoacylation activity against human prolyl-tRNA synthetase ChEMBL. 11229766

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

Bibliographic References

1 literature reference was collected for this gene.

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