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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL62735
CHEMBL62735
Compound Name FASIPLON
ChEMBL Synonyms Fasiplon
Max Phase 0
Trade Names
Molecular Formula C13H15N5O2

Additional synonyms for CHEMBL62735 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES CCc1c(C)n2cc(nc2nc1OC)c3noc(C)n3
Standard InChI InChI=1S/C13H15N5O2/c1-5-9-7(2)18-6-10(11-14-8(3)20-17-11)15 ...
Download InChI
Standard InChI Key MEBYKPLMXIRYRQ-UHFFFAOYSA-N

Sources

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

Alternate Forms of Compound in ChEMBL


CHEMBL62735

Molecule Features

CHEMBL62735 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 FASIPLON
The Cochrane Collaboration FASIPLON

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 CHEMBL62735. 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.


10uM


ChEMBL_ID Target Name Organism Score
CHEMBL5747 CREB-binding protein Homo sapiens 0.654

Calculated Compound Parent Properties

Mol. Weight Mol. Weight Monoisotopic ALogP #Rotatable Bonds Polar Surface Area Molecular Species
273.3 273.1226 1.97 3 78.34 NEUTRAL


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
7 0 0 7 0 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
- .65 2.42 2.42 3 20 0.73

Structural Alerts

There are no structural alerts for CHEMBL62735

Compound Cross References

ChemSpider ChemSpider:MEBYKPLMXIRYRQ-UHFFFAOYSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL62735



ACToR 106100-65-6
EPA CompTox Dashboard DTXSID70147512
FDA SRS XCA050IPGB
IBM Patent System 895F569A29193A8C2F1D27038B0B51DF
Nikkaji J420.214G
PubChem 208954
SureChEMBL SCHEMBL2109884

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