Detailed information for compound 149822

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 365.424 | Formula: C25H19NO2
  • H donors: 0 H acceptors: 1 LogP: 5.83 Rotable bonds: 2
    Rule of 5 violations (Lipinski): 1
  • SMILES: Cc1cc(C)cc(c1)n1cc(c2c1c1ccccc1oc2=O)c1ccccc1
  • InChi: 1S/C25H19NO2/c1-16-12-17(2)14-19(13-16)26-15-21(18-8-4-3-5-9-18)23-24(26)20-10-6-7-11-22(20)28-25(23)27/h3-15H,1-2H3
  • InChiKey: DIDRLTMFZKWKSA-UHFFFAOYSA-N  

Network

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Synonyms

No synonyms found for this compound

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Bos taurus GABA-A receptor; anion channel Starlite/ChEMBL References

Predicted pathogen targets for this compound

By orthology
No druggable targets predicted by orthology data
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Echinococcus multilocularis Cys loop ligand gated ion channel subunit GABA-A receptor; anion channel   555 aa 583 aa 25.4 %
Echinococcus granulosus Cys loop ligand gated ion channel subunit GABA-A receptor; anion channel   555 aa 578 aa 25.8 %
Onchocerca volvulus GABA-A receptor; anion channel   555 aa 466 aa 31.3 %
Onchocerca volvulus GABA-A receptor; anion channel   555 aa 516 aa 25.4 %

Obtained from network model

Ranking Plot


Putative Targets List


Species Potential target Raw Global Species
Echinococcus granulosus acetylcholine receptor subunit beta 1 0.0023 0.001 0.7957
Loa Loa (eye worm) hypothetical protein 0.0023 0.001 0.7957
Brugia malayi Cation transporter family protein 0.0023 0.001 0.7957
Loa Loa (eye worm) hypothetical protein 0.0023 0.001 0.7957
Loa Loa (eye worm) hypothetical protein 0.0023 0.001 0.7957
Brugia malayi acetylcholine receptor protein, alpha-like chain, putative 0.0023 0.001 0.7957
Brugia malayi Neurotransmitter-gated ion-channel transmembrane region family protein 0.0023 0.001 0.7957
Brugia malayi Neurotransmitter-gated ion-channel transmembrane region family protein 0.0023 0.001 0.7957
Echinococcus granulosus nicotinic acetylcholine receptor beta 1 subunit 0.0023 0.001 0.7957
Loa Loa (eye worm) hypothetical protein 0.0023 0.001 0.7957
Loa Loa (eye worm) hypothetical protein 0.0023 0.001 0.7957
Loa Loa (eye worm) nicotinic acetylcholine receptor alpha subunit 0.0023 0.001 0.7957
Echinococcus granulosus glycine receptor subunit alpha 1 0.0023 0.001 0.7957
Leishmania major GDP-mannose pyrophosphorylase 0.0024 0.0013 1
Schistosoma mansoni nAChR subunit 0.0023 0.001 0.7957
Echinococcus multilocularis nicotinic acetylcholine receptor alpha subunit 0.0023 0.001 0.7957
Mycobacterium ulcerans hypothetical protein 0.0365 0.0962 0.0962
Echinococcus multilocularis mannose 1 phosphate guanyltransferase 0.0024 0.0013 1
Brugia malayi Neurotransmitter-gated ion-channel ligand binding domain containing protein 0.0023 0.001 0.7957
Schistosoma mansoni nAChR subunit (ShAR1-beta2-like) 0.0023 0.001 0.7957
Loa Loa (eye worm) nicotinic acetylcholine receptor non-alpha subunit 0.0023 0.001 0.7957
Schistosoma mansoni Cys-loop ligand gated ion channel subunit 0.0023 0.001 0.7957
Echinococcus granulosus nicotinic acetylcholine receptor subunit alpha 8 0.0023 0.001 0.7957
Brugia malayi Neurotransmitter-gated ion-channel ligand binding domain containing protein 0.0023 0.001 0.7957
Echinococcus multilocularis nicotinic acetylcholine receptor a11 subunit 0.0023 0.001 0.7957
Echinococcus granulosus neuronal acetylcholine receptor subunit alpha 4 0.0023 0.001 0.7957
Echinococcus granulosus Cys loop ligand gated ion channel subunit 0.0023 0.001 0.7957
Onchocerca volvulus 0.0023 0.001 0.5
Echinococcus granulosus nAChR subunit 0.0023 0.001 0.7957
Loa Loa (eye worm) hypothetical protein 0.0023 0.001 0.7957
Chlamydia trachomatis acyl-ACP--UDP-N-acetylglucosamine O-acyltransferase 0.0019 0 0.5
Loa Loa (eye worm) hypothetical protein 0.0023 0.001 0.7957
Schistosoma mansoni nAChR subunit 0.0023 0.001 0.7957
Echinococcus granulosus glycine receptor subunit beta 0.0023 0.001 0.7957
Loa Loa (eye worm) nucleotidyl transferase 0.0024 0.0013 1
Echinococcus granulosus glycine receptor subunit beta 0.0023 0.001 0.7957
Loa Loa (eye worm) LGC-31 protein 0.0023 0.001 0.7957
Loa Loa (eye worm) ligand-Gated ion Channel family member 0.0023 0.001 0.7957
Echinococcus multilocularis nicotinic acetylcholine receptor subunit alpha 8 0.0023 0.001 0.7957
Loa Loa (eye worm) hypothetical protein 0.0023 0.001 0.7957
Toxoplasma gondii GDP-D-mannose pyrophosphorylase 0.0024 0.0013 0.0137
Trichomonas vaginalis glucose-1-phosphate thymidylyltransferase, putative 0.0024 0.0013 1
Schistosoma mansoni nAChR subunit (ShAR1-alpha-like) 0.0023 0.001 0.7957
Echinococcus multilocularis glycine receptor subunit beta 0.0023 0.001 0.7957
Trypanosoma brucei GDP-mannose pyrophosphorylase 0.0024 0.0013 1
Mycobacterium tuberculosis Probable UDP-N-acetylglucosamine pyrophosphorylase GlmU 0.3617 1 1
Mycobacterium ulcerans bifunctional N-acetylglucosamine-1-phosphate uridyltransferase/glucosamine-1-phosphate acetyltransferase 0.3617 1 1
Schistosoma mansoni Cys-loop ligand gated ion channel subunit 0.0023 0.001 0.7957
Echinococcus multilocularis Cys loop ligand gated ion channel subunit 0.0023 0.001 0.7957
Schistosoma mansoni nAChR subunit 0.0023 0.001 0.7957
Loa Loa (eye worm) excitatory GABA receptor EXP-1A 0.0023 0.001 0.7957
Loa Loa (eye worm) acetylcholine receptor alpha subunit 0.0023 0.001 0.7957
Schistosoma mansoni mannose-1-phosphate guanyltransferase 0.0024 0.0013 1
Schistosoma mansoni Cys-loop ligand gated ion channel subunit 0.0023 0.001 0.7957
Echinococcus multilocularis nicotinic acetylcholine receptor beta 1 subunit 0.0023 0.001 0.7957
Mycobacterium ulcerans hypothetical protein 0.0365 0.0962 0.0962
Brugia malayi Cation transporter family protein 0.0023 0.001 0.7957
Onchocerca volvulus 0.0023 0.001 0.5
Toxoplasma gondii eukaryotic initiation factor-2B, gamma subunit, putative 0.0365 0.0962 1
Chlamydia trachomatis UDP-3-O-acylglucosamine N-acyltransferase 0.0019 0 0.5
Schistosoma mansoni nAChR subunit 0.0023 0.001 0.7957
Brugia malayi nicotinic acetylcholine receptor alpha subunit, putative 0.0023 0.001 0.7957
Entamoeba histolytica translation initiation factor eIF-2B epsilon subunit, putative 0.0024 0.0013 1
Plasmodium falciparum mannose-1-phosphate guanyltransferase, putative 0.0024 0.0013 1
Schistosoma mansoni nAChR subunit 0.0023 0.001 0.7957
Schistosoma mansoni nAChR subunit (ShAR1-beta-like) 0.0023 0.001 0.7957
Loa Loa (eye worm) hypothetical protein 0.0023 0.001 0.7957
Brugia malayi acetylcholine receptor, alpha-type subunit unc-38 precursor 0.0023 0.001 0.7957
Brugia malayi Neurotransmitter-gated ion-channel ligand binding domain containing protein 0.0023 0.001 0.7957
Brugia malayi Neurotransmitter-gated ion-channel ligand binding domain containing protein 0.0023 0.001 0.7957
Echinococcus granulosus mannose 1 phosphate guanyltransferase beta 0.0024 0.0013 1
Brugia malayi excitatory GABA receptor EXP-1A 0.0023 0.001 0.7957
Echinococcus multilocularis neuronal acetylcholine receptor subunit alpha 4 0.0023 0.001 0.7957
Loa Loa (eye worm) hypothetical protein 0.0023 0.001 0.7957
Onchocerca volvulus 0.0023 0.001 0.5
Echinococcus granulosus nicotinic acetylcholine receptor alpha subunit 0.0023 0.001 0.7957
Loa Loa (eye worm) hypothetical protein 0.0023 0.001 0.7957
Brugia malayi Neurotransmitter-gated ion-channel ligand binding domain containing protein 0.0023 0.001 0.7957
Plasmodium vivax mannose-1-phosphate guanyltransferase, putative 0.0024 0.0013 1
Echinococcus multilocularis acetylcholine receptor subunit beta 1 0.0023 0.001 0.7957
Loa Loa (eye worm) hypothetical protein 0.0023 0.001 0.7957
Loa Loa (eye worm) hypothetical protein 0.0023 0.001 0.7957
Mycobacterium tuberculosis Conserved hypothetical protein 0.0365 0.0962 0.0962
Brugia malayi gamma-aminobutyric-acid receptor beta subunit precursor 0.0023 0.001 0.7957
Echinococcus multilocularis glycine receptor subunit alpha 1 0.0023 0.001 0.7957
Mycobacterium tuberculosis Conserved hypothetical protein 0.0365 0.0962 0.0962
Echinococcus multilocularis nAChR subunit 0.0023 0.001 0.7957
Trypanosoma cruzi GDP-mannose pyrophosphorylase 0.0024 0.0013 1
Trichomonas vaginalis sugar-1-phosphate guanyl transferase, putative 0.0024 0.0013 1
Brugia malayi nicotinic acetylcholine receptor beta-1 chain precursor 0.0023 0.001 0.7957
Echinococcus multilocularis glycine receptor subunit beta 0.0023 0.001 0.7957
Schistosoma mansoni glucosamine-1-phosphate N-acetyltransferase 0.0024 0.0013 1
Loa Loa (eye worm) GDP-mannose pyrophosphorylase B 0.0024 0.0013 1
Brugia malayi GDP-mannose pyrophosphorylase B 0.0024 0.0013 1
Brugia malayi Cation transporter family protein 0.0023 0.001 0.7957
Treponema pallidum licC protein (licC) 0.0365 0.0962 0.5
Brugia malayi acetylcholine receptor alpha subunit precursor, putative 0.0023 0.001 0.7957
Loa Loa (eye worm) hypothetical protein 0.0023 0.001 0.7957
Loa Loa (eye worm) hypothetical protein 0.0023 0.001 0.7957
Echinococcus multilocularis glycine receptor subunit alpha 1 0.0023 0.001 0.7957
Loa Loa (eye worm) hypothetical protein 0.0023 0.001 0.7957
Echinococcus granulosus mannose 1 phosphate guanyltransferase 0.0024 0.0013 1
Brugia malayi Neurotransmitter-gated ion-channel transmembrane region family protein 0.0023 0.001 0.7957
Loa Loa (eye worm) hypothetical protein 0.0023 0.001 0.7957
Brugia malayi Neurotransmitter-gated ion-channel ligand binding domain containing protein 0.0023 0.001 0.7957
Schistosoma mansoni gdp-mannose pyrophosphorylase b isoform 2 0.0024 0.0013 1
Brugia malayi Nucleotidyl transferase family protein 0.0024 0.0013 1
Loa Loa (eye worm) glutamate-gated chloride channel alpha3A subunit 0.0023 0.001 0.7957
Echinococcus granulosus nicotinic acetylcholine receptor a11 subunit 0.0023 0.001 0.7957
Echinococcus granulosus nicotinic acetylcholine receptor subunit type 0.0023 0.001 0.7957
Echinococcus multilocularis mannose 1 phosphate guanyltransferase beta 0.0024 0.0013 1
Schistosoma mansoni nAChR subunit 0.0023 0.001 0.7957
Onchocerca volvulus 0.0023 0.001 0.5
Loa Loa (eye worm) ACC-1 protein 0.0023 0.001 0.7957
Echinococcus multilocularis glycine receptor subunit alpha 1 0.0023 0.001 0.7957
Mycobacterium ulcerans d-alpha-D-mannose-1-phosphate guanylyltransferase ManB 0.0024 0.0013 0.0013
Trypanosoma cruzi GDP-mannose pyrophosphorylase 0.0024 0.0013 1
Onchocerca volvulus 0.0023 0.001 0.5
Loa Loa (eye worm) hypothetical protein 0.0023 0.001 0.7957
Onchocerca volvulus Putative nachr subunit 0.0023 0.001 0.5
Loa Loa (eye worm) hypothetical protein 0.0023 0.001 0.7957
Echinococcus granulosus glycine receptor subunit alpha 1 0.0023 0.001 0.7957
Trypanosoma brucei nucleotidyl transferase, putative 0.0024 0.0013 1
Schistosoma mansoni nAChR subunit 0.0023 0.001 0.7957
Giardia lamblia Translation initiation factor 0.0019 0 0.5
Loa Loa (eye worm) ACC-1 protein 0.0023 0.001 0.7957
Wolbachia endosymbiont of Brugia malayi N-acetylglucosamine-1-phosphate uridyltransferase 0.3617 1 1
Onchocerca volvulus 0.0023 0.001 0.5
Echinococcus granulosus glycine receptor subunit alpha 1 0.0023 0.001 0.7957
Brugia malayi Hypothetical glycine receptor like protein T20B12.9 in chromosome III 0.0023 0.001 0.7957
Mycobacterium ulcerans molybdopterin-guanine dinucleotide biosynthesis protein A 0.0365 0.0962 0.0962
Trypanosoma cruzi Translation initiation factor eIF-2B subunit epsilon, putative 0.0024 0.0013 1

Activities

Activity type Activity value Assay description Source Reference
GABA ratio (binding) = 1.15 Ratio of IC50 of compound to that of compound+10 microM GABA ChEMBL. 2167984
IC50 (binding) = 8.6 nM Affinity to displace [3H]-flunitrazepam from Benzodiazepine receptor in bovine brain membrane ChEMBL. 2167984
IC50 (binding) = 8.6 nM Affinity to displace [3H]-flunitrazepam from Benzodiazepine receptor in bovine brain membrane ChEMBL. 2167984

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

No external resources registered for this compound

Bibliographic References

1 literature reference was collected for this gene.

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