Detailed information for compound 14472

Basic information

Technical information
  • TDR Targets ID: 14472
  • Name: N-(4-chlorophenyl)-N,3-dimethyl-4-phenylquino line-2-carboxamide
  • MW: 386.873 | Formula: C24H19ClN2O
  • H donors: 0 H acceptors: 2 LogP: 6.16 Rotable bonds: 4
    Rule of 5 violations (Lipinski): 1
  • SMILES: Clc1ccc(cc1)N(C(=O)c1nc2ccccc2c(c1C)c1ccccc1)C
  • InChi: 1S/C24H19ClN2O/c1-16-22(17-8-4-3-5-9-17)20-10-6-7-11-21(20)26-23(16)24(28)27(2)19-14-12-18(25)13-15-19/h3-15H,1-2H3
  • InChiKey: VITHAIPHWHWXDX-UHFFFAOYSA-N  

Network

Hover on a compound node to display the structore

Synonyms

  • N-(4-chlorophenyl)-N,3-dimethyl-4-phenyl-quinoline-2-carboxamide
  • N-(4-chlorophenyl)-N,3-dimethyl-4-phenyl-2-quinolinecarboxamide
  • N-(4-chlorophenyl)-N,3-dimethyl-4-phenyl-quinaldamide

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Rattus norvegicus Peripheral-type benzodiazepine receptor Starlite/ChEMBL References

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_129542 All targets in OG5_129542
Onchocerca volvulus Get druggable targets OG5_129542 All targets in OG5_129542
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_129542 All targets in OG5_129542
Onchocerca volvulus Get druggable targets OG5_129542 All targets in OG5_129542
Echinococcus multilocularis translocator protein Get druggable targets OG5_129542 All targets in OG5_129542
Brugia malayi TspO/MBR family protein Get druggable targets OG5_129542 All targets in OG5_129542
Echinococcus granulosus translocator protein Get druggable targets OG5_129542 All targets in OG5_129542
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_129542 All targets in OG5_129542
Schistosoma mansoni peripheral-type benzodiazepine receptor Get druggable targets OG5_129542 All targets in OG5_129542
Onchocerca volvulus Get druggable targets OG5_129542 All targets in OG5_129542
Mycobacterium ulcerans tryptophan-rich sensory protein Get druggable targets OG5_129542 All targets in OG5_129542
Onchocerca volvulus Get druggable targets OG5_129542 All targets in OG5_129542
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_129542 All targets in OG5_129542

By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Onchocerca volvulus Peripheral-type benzodiazepine receptor   169 aa 156 aa 25.6 %
Echinococcus granulosus vacuolar h atpase Peripheral-type benzodiazepine receptor   169 aa 137 aa 25.5 %

Obtained from network model

Ranking Plot


Putative Targets List


Species Potential target Raw Global Species
Toxoplasma gondii bifunctional dihydrofolate reductase-thymidylate synthase 0.0163 0.101 0.5
Mycobacterium ulcerans tryptophan-rich sensory protein 0.0322 0.2447 1
Loa Loa (eye worm) hypothetical protein 0.0322 0.2447 1
Trypanosoma cruzi thymidine kinase, putative 0.1041 0.8937 1
Trypanosoma cruzi dihydrofolate reductase-thymidylate synthase 0.0163 0.101 0.1094
Trichomonas vaginalis thymidine kinase, putative 0.1041 0.8937 1
Onchocerca volvulus 0.0322 0.2447 1
Trypanosoma brucei thymidine kinase 0.1041 0.8937 1
Schistosoma mansoni thyroid hormone receptor 0.0134 0.0749 0.3063
Trichomonas vaginalis thymidine kinase, putative 0.1041 0.8937 1
Loa Loa (eye worm) hypothetical protein 0.0322 0.2447 1
Leishmania major thymidine kinase, putative 0.1041 0.8937 1
Echinococcus multilocularis translocator protein 0.0322 0.2447 1
Schistosoma mansoni peripheral-type benzodiazepine receptor 0.0322 0.2447 1
Echinococcus granulosus thymidine kinase 0.024 0.1706 0.6021
Mycobacterium tuberculosis Probable thymidylate synthase ThyA (ts) (TSASE) 0.0116 0.0585 1
Schistosoma mansoni thymidine kinase 0.024 0.1706 0.6972
Echinococcus multilocularis thymidine kinase 0.024 0.1706 0.6021
Echinococcus granulosus thymidine kinase 0.024 0.1706 0.6021
Onchocerca volvulus 0.0322 0.2447 1
Trichomonas vaginalis thymidine kinase, putative 0.1041 0.8937 1
Onchocerca volvulus 0.0322 0.2447 1
Schistosoma mansoni hypothetical protein 0.0124 0.066 0.2696
Trypanosoma cruzi thymidine kinase, putative 0.1041 0.8937 1
Echinococcus granulosus Mitotic checkpoint protein PRCC C terminal 0.0124 0.066 0.0403
Echinococcus granulosus translocator protein 0.0322 0.2447 1
Loa Loa (eye worm) hypothetical protein 0.0322 0.2447 1
Schistosoma mansoni thyroid hormone receptor 0.0134 0.0749 0.3063
Mycobacterium leprae PROBABLE THYMIDYLATE SYNTHASE THYA (TS) (TSASE) 0.0116 0.0585 0.5
Echinococcus multilocularis thymidine kinase 0.024 0.1706 0.6021
Brugia malayi thymidylate synthase 0.0116 0.0585 0.2272
Plasmodium vivax bifunctional dihydrofolate reductase-thymidylate synthase, putative 0.0163 0.101 0.5
Echinococcus granulosus Thymidine kinase 2 mitochondrial 0.024 0.1706 0.6021
Onchocerca volvulus 0.0322 0.2447 1
Echinococcus multilocularis transfer RNA-Ile 0.024 0.1706 0.6021
Loa Loa (eye worm) hypothetical protein 0.0322 0.2447 1
Echinococcus multilocularis thyroid hormone receptor alpha 0.0134 0.0749 0.0885
Schistosoma mansoni bifunctional dihydrofolate reductase-thymidylate synthase 0.0116 0.0585 0.2389
Brugia malayi TspO/MBR family protein 0.0322 0.2447 1
Brugia malayi hypothetical protein 0.013 0.0714 0.2808
Entamoeba histolytica thymidine kinase, putative 0.1041 0.8937 0.5
Echinococcus multilocularis Mitotic checkpoint protein PRCC, C terminal 0.0124 0.066 0.0403
Plasmodium falciparum bifunctional dihydrofolate reductase-thymidylate synthase 0.0163 0.101 0.5

Activities

Activity type Activity value Assay description Source Reference
IC50 (binding) = -8.19 In vitro binding affinity (pIC50) was tested against peripheral benzodiazepine receptor (PBR) in rat. ChEMBL. 9288173
IC50 (binding) = 6.4 nM In vitro displacement of [3H]-PK11195 from the peripheral benzodiazepine receptor (PBR) in rat cortex ChEMBL. 9288173
IC50 (binding) = 6.4 nM Test in vitro, for potential ability to displace [3H]-1 from PBR in rat brain cortex ChEMBL. 11312914
IC50 (binding) = 6.4 nM In vitro displacement of [3H]-PK11195 from the peripheral benzodiazepine receptor (PBR) in rat cortex ChEMBL. 9288173
IC50 (binding) = 6.4 nM Test in vitro, for potential ability to displace [3H]-1 from PBR in rat brain cortex ChEMBL. 11312914
Log IC50 (binding) = 8.19 In vitro binding affinity (pIC50) was tested against peripheral benzodiazepine receptor (PBR) in rat. ChEMBL. 9288173

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

2 literature references were collected for this gene.

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