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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL1915065
CHEMBL1915065
Compound Name GIRISOPAM
ChEMBL Synonyms GIRISOPAM
Max Phase 0
Trade Names
Molecular Formula C18H17ClN2O2

Additional synonyms for CHEMBL1915065 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES COc1cc2CC(=NN=C(c3cccc(Cl)c3)c2cc1OC)C
Standard InChI InChI=1S/C18H17ClN2O2/c1-11-7-13-9-16(22-2)17(23-3)10-15(13) ...
Download InChI
Standard InChI Key VQYLGVVODFDFNK-UHFFFAOYSA-N

Sources

  • Scientific Literature
  • USP Dictionary of USAN and International Drug Names

Alternate Forms of Compound in ChEMBL


CHEMBL1915065

Molecule Features

CHEMBL1915065 compound icon
Drug Type:Synthetic Small Molecule Rule of Five:Y First In Class:N Chirality:Achiral Molecule Prodrug:N Oral:Unclassified Parenteral:Unclassified Topical:Unclassified Black Box:Unclassified Availability Type:Unclassified

Clinical Data

ClinicalTrials.gov GIRISOPAM
The Cochrane Collaboration GIRISOPAM

Compound Bioactivity Summary

Compound Assay Summary

Compound Target Summary

Target Predictions

The two tables below display ChEMBL single-protein targets which are predicted to interact with CHEMBL1915065. A 1uM and 10 uM cut-off have been applied to ChEMBL bioactivity data used to generate the respective models and the yellow coloured rows correspond to genuine predictions, i.e. targets not included in the original training set for this compound.


1uM


ChEMBL_ID Target Name Organism Score
CHEMBL1833 Serotonin 2b (5-HT2b) receptor Homo sapiens 0.377
CHEMBL4096 Cellular tumor antigen p53 Homo sapiens 0.215

10uM


ChEMBL_ID Target Name Organism Score
CHEMBL6029 Eukaryotic translation initiation factor 2-alpha kinase 1 Homo sapiens 0.833
CHEMBL241 Phosphodiesterase 3A Homo sapiens 0.370
CHEMBL1916 Alpha-2c adrenergic receptor Homo sapiens 0.228

Calculated Compound Parent Properties

Mol. Weight Mol. Weight Monoisotopic ALogP #Rotatable Bonds Polar Surface Area Molecular Species
328.8 328.0979 3.95 3 43.18 NEUTRAL


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
4 0 0 4 0 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
- 6.98 3.02 2.83 2 23 0.86

Structural Alerts

There are no structural alerts for CHEMBL1915065

Compound Cross References

ChemSpider ChemSpider:VQYLGVVODFDFNK-UHFFFAOYSA-N
Wikipedia Girisopam

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL1915065



ACToR 82230-53-3
BindingDB 50356876
EPA CompTox Dashboard DTXSID70231642
FDA SRS 2LP301A921
IBM Patent System 5DD734C6B34763FC67A97E324CA9A231
Nikkaji J227.603H
PubChem 71257
PubChem: Thomson Pharma 14753095
SureChEMBL SCHEMBL637118
ZINC ZINC000000000340

UniChem REST Service Call:
https://www.ebi.ac.uk/unichem/rest/verbose_inchikey/VQYLGVVODFDFNK-UHFFFAOYSA-N spacer
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