Detailed information for compound 411524

Basic information

Technical information
  • TDR Targets ID: 411524
  • Name: 2-[(3,4-dichlorophenyl)methyl]-3-hydroxy-7,8, 9,10-tetrahydrobenzo[h]quinoline-4-carboxylic acid
  • MW: 402.271 | Formula: C21H17Cl2NO3
  • H donors: 2 H acceptors: 4 LogP: 6.5 Rotable bonds: 3
    Rule of 5 violations (Lipinski): 1
  • SMILES: OC(=O)c1c(O)c(Cc2ccc(c(c2)Cl)Cl)nc2c1ccc1c2CCCC1
  • InChi: 1S/C21H17Cl2NO3/c22-15-8-5-11(9-16(15)23)10-17-20(25)18(21(26)27)14-7-6-12-3-1-2-4-13(12)19(14)24-17/h5-9,25H,1-4,10H2,(H,26,27)
  • InChiKey: PWDCFUOLKCRMBT-UHFFFAOYSA-N  

Network

Hover on a compound node to display the structore

Synonyms

  • 2-(3,4-dichlorobenzyl)-3-hydroxy-7,8,9,10-tetrahydrobenzo[h]quinoline-4-carboxylic acid

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

Obtained from network model

Ranking Plot


Putative Targets List


Species Potential target Raw Global Species
Echinococcus multilocularis nicotinic acetylcholine receptor alpha subunit 0.0052 0.2049 0.2049
Echinococcus granulosus nicotinic acetylcholine receptor subunit type 0.0052 0.2049 0.2049
Brugia malayi gamma-aminobutyric-acid receptor beta subunit precursor 0.0052 0.2049 0.2049
Loa Loa (eye worm) hypothetical protein 0.0052 0.2049 0.2049
Loa Loa (eye worm) hypothetical protein 0.0052 0.2049 0.2049
Onchocerca volvulus 0.0052 0.2049 1
Loa Loa (eye worm) ACC-1 protein 0.0052 0.2049 0.2049
Echinococcus multilocularis nicotinic acetylcholine receptor subunit alpha 8 0.0052 0.2049 0.2049
Loa Loa (eye worm) hypothetical protein 0.0052 0.2049 0.2049
Echinococcus multilocularis acetylcholine receptor subunit beta 1 0.0052 0.2049 0.2049
Schistosoma mansoni Cys-loop ligand gated ion channel subunit 0.0052 0.2049 0.2049
Echinococcus granulosus neuronal acetylcholine receptor subunit alpha 4 0.0052 0.2049 0.2049
Echinococcus multilocularis acetylcholinesterase 0.0145 1 1
Brugia malayi Hypothetical glycine receptor like protein T20B12.9 in chromosome III 0.0052 0.2049 0.2049
Loa Loa (eye worm) acetylcholine receptor alpha subunit 0.0052 0.2049 0.2049
Schistosoma mansoni nAChR subunit 0.0052 0.2049 0.2049
Loa Loa (eye worm) nicotinic acetylcholine receptor alpha subunit 0.0052 0.2049 0.2049
Echinococcus granulosus nicotinic acetylcholine receptor alpha subunit 0.0052 0.2049 0.2049
Onchocerca volvulus Putative nachr subunit 0.0052 0.2049 1
Entamoeba histolytica hypothetical protein 0.0028 0 0.5
Echinococcus granulosus glycine receptor subunit alpha 1 0.0052 0.2049 0.2049
Brugia malayi Neurotransmitter-gated ion-channel transmembrane region family protein 0.0052 0.2049 0.2049
Echinococcus multilocularis glycine receptor subunit alpha 1 0.0052 0.2049 0.2049
Loa Loa (eye worm) hypothetical protein 0.0052 0.2049 0.2049
Loa Loa (eye worm) hypothetical protein 0.0052 0.2049 0.2049
Loa Loa (eye worm) acetylcholinesterase 1 0.0145 1 1
Brugia malayi Neurotransmitter-gated ion-channel transmembrane region family protein 0.0052 0.2049 0.2049
Brugia malayi Neurotransmitter-gated ion-channel ligand binding domain containing protein 0.0052 0.2049 0.2049
Brugia malayi Neurotransmitter-gated ion-channel ligand binding domain containing protein 0.0052 0.2049 0.2049
Echinococcus multilocularis nicotinic acetylcholine receptor a11 subunit 0.0052 0.2049 0.2049
Loa Loa (eye worm) ACC-1 protein 0.0052 0.2049 0.2049
Schistosoma mansoni Cys-loop ligand gated ion channel subunit 0.0052 0.2049 0.2049
Echinococcus granulosus glycine receptor subunit alpha 1 0.0052 0.2049 0.2049
Schistosoma mansoni nAChR subunit 0.0052 0.2049 0.2049
Echinococcus multilocularis glycine receptor subunit alpha 1 0.0052 0.2049 0.2049
Brugia malayi acetylcholine receptor protein, alpha-like chain, putative 0.0052 0.2049 0.2049
Schistosoma mansoni nAChR subunit 0.0052 0.2049 0.2049
Echinococcus granulosus nicotinic acetylcholine receptor beta 1 subunit 0.0052 0.2049 0.2049
Schistosoma mansoni Cys-loop ligand gated ion channel subunit 0.0052 0.2049 0.2049
Brugia malayi Neurotransmitter-gated ion-channel ligand binding domain containing protein 0.0052 0.2049 0.2049
Schistosoma mansoni nAChR subunit 0.0052 0.2049 0.2049
Echinococcus multilocularis nAChR subunit 0.0052 0.2049 0.2049
Echinococcus granulosus nicotinic acetylcholine receptor subunit alpha 8 0.0052 0.2049 0.2049
Echinococcus multilocularis carboxylesterase 5A 0.0145 1 1
Echinococcus granulosus carboxylesterase 5A 0.0145 1 1
Onchocerca volvulus 0.0052 0.2049 1
Loa Loa (eye worm) hypothetical protein 0.0052 0.2049 0.2049
Loa Loa (eye worm) glutamate-gated chloride channel alpha3A subunit 0.0052 0.2049 0.2049
Onchocerca volvulus 0.0052 0.2049 1
Echinococcus granulosus glycine receptor subunit alpha 1 0.0052 0.2049 0.2049
Loa Loa (eye worm) hypothetical protein 0.0052 0.2049 0.2049
Schistosoma mansoni nAChR subunit 0.0052 0.2049 0.2049
Brugia malayi acetylcholine receptor, alpha-type subunit unc-38 precursor 0.0052 0.2049 0.2049
Brugia malayi Neurotransmitter-gated ion-channel transmembrane region family protein 0.0052 0.2049 0.2049
Echinococcus granulosus acetylcholinesterase 0.0145 1 1
Loa Loa (eye worm) carboxylesterase 0.0145 1 1
Schistosoma mansoni nAChR subunit (ShAR1-beta2-like) 0.0052 0.2049 0.2049
Echinococcus granulosus nicotinic acetylcholine receptor a11 subunit 0.0052 0.2049 0.2049
Brugia malayi Cation transporter family protein 0.0052 0.2049 0.2049
Loa Loa (eye worm) LGC-31 protein 0.0052 0.2049 0.2049
Onchocerca volvulus 0.0052 0.2049 1
Onchocerca volvulus 0.0052 0.2049 1
Brugia malayi Neurotransmitter-gated ion-channel ligand binding domain containing protein 0.0052 0.2049 0.2049
Loa Loa (eye worm) excitatory GABA receptor EXP-1A 0.0052 0.2049 0.2049
Loa Loa (eye worm) hypothetical protein 0.0052 0.2049 0.2049
Brugia malayi Neurotransmitter-gated ion-channel ligand binding domain containing protein 0.0052 0.2049 0.2049
Echinococcus multilocularis glycine receptor subunit beta 0.0052 0.2049 0.2049
Loa Loa (eye worm) hypothetical protein 0.0052 0.2049 0.2049
Schistosoma mansoni family S9 non-peptidase homologue (S09 family) 0.0145 1 1
Echinococcus multilocularis glycine receptor subunit beta 0.0052 0.2049 0.2049
Loa Loa (eye worm) hypothetical protein 0.0145 1 1
Onchocerca volvulus 0.0052 0.2049 1
Loa Loa (eye worm) hypothetical protein 0.0052 0.2049 0.2049
Loa Loa (eye worm) hypothetical protein 0.0052 0.2049 0.2049
Brugia malayi Cation transporter family protein 0.0052 0.2049 0.2049
Brugia malayi nicotinic acetylcholine receptor alpha subunit, putative 0.0052 0.2049 0.2049
Schistosoma mansoni nAChR subunit 0.0052 0.2049 0.2049
Brugia malayi nicotinic acetylcholine receptor beta-1 chain precursor 0.0052 0.2049 0.2049
Echinococcus multilocularis nicotinic acetylcholine receptor beta 1 subunit 0.0052 0.2049 0.2049
Schistosoma mansoni nAChR subunit (ShAR1-beta-like) 0.0052 0.2049 0.2049
Loa Loa (eye worm) hypothetical protein 0.0052 0.2049 0.2049
Schistosoma mansoni nAChR subunit (ShAR1-alpha-like) 0.0052 0.2049 0.2049
Loa Loa (eye worm) hypothetical protein 0.0052 0.2049 0.2049
Echinococcus granulosus acetylcholine receptor subunit beta 1 0.0052 0.2049 0.2049
Schistosoma mansoni nAChR subunit 0.0052 0.2049 0.2049
Loa Loa (eye worm) hypothetical protein 0.0052 0.2049 0.2049
Brugia malayi acetylcholine receptor alpha subunit precursor, putative 0.0052 0.2049 0.2049
Echinococcus granulosus Cys loop ligand gated ion channel subunit 0.0052 0.2049 0.2049
Loa Loa (eye worm) hypothetical protein 0.0052 0.2049 0.2049
Loa Loa (eye worm) hypothetical protein 0.0052 0.2049 0.2049
Loa Loa (eye worm) hypothetical protein 0.0145 1 1
Loa Loa (eye worm) hypothetical protein 0.0052 0.2049 0.2049
Echinococcus granulosus glycine receptor subunit beta 0.0052 0.2049 0.2049
Brugia malayi Neurotransmitter-gated ion-channel ligand binding domain containing protein 0.0052 0.2049 0.2049
Echinococcus granulosus acetylcholinesterase 0.0145 1 1
Echinococcus multilocularis neuronal acetylcholine receptor subunit alpha 4 0.0052 0.2049 0.2049
Loa Loa (eye worm) nicotinic acetylcholine receptor non-alpha subunit 0.0052 0.2049 0.2049
Loa Loa (eye worm) ligand-Gated ion Channel family member 0.0052 0.2049 0.2049
Echinococcus multilocularis Cys loop ligand gated ion channel subunit 0.0052 0.2049 0.2049
Echinococcus multilocularis glycine receptor subunit alpha 1 0.0052 0.2049 0.2049
Echinococcus granulosus glycine receptor subunit beta 0.0052 0.2049 0.2049
Loa Loa (eye worm) hypothetical protein 0.0052 0.2049 0.2049
Echinococcus multilocularis acetylcholinesterase 0.0145 1 1
Brugia malayi Cation transporter family protein 0.0052 0.2049 0.2049
Echinococcus granulosus nAChR subunit 0.0052 0.2049 0.2049
Loa Loa (eye worm) hypothetical protein 0.0052 0.2049 0.2049
Brugia malayi Carboxylesterase family protein 0.0145 1 1
Brugia malayi excitatory GABA receptor EXP-1A 0.0052 0.2049 0.2049

Activities

Activity type Activity value Assay description Source Reference
Inhibition (binding) = 36 % Inhibition of P-Selectin by Biacore assay at 500 uM ChEMBL. 17201409
Inhibition (binding) = 36 % Inhibition of P-Selectin by Biacore assay at 500 uM ChEMBL. 17201409

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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