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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL68738
CHEMBL68738
Compound Name N6-CYCLOPENTYLADENOSINE
ChEMBL Synonyms CCPA | Cyclopentyladenosine
Max Phase 0
Trade Names
Molecular Formula C15H21N5O4

Additional synonyms for CHEMBL68738 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n2cnc3c(NC4CCCC4)ncnc23
Standard InChI InChI=1S/C15H21N5O4/c21-5-9-11(22)12(23)15(24-9)20-7-18-10-1 ...
Download InChI
Standard InChI Key SQMWSBKSHWARHU-SDBHATRESA-N

Sources

  • BindingDB Database
  • PubChem BioAssays
  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL68738

Compound Bioactivity Summary

Compound Assay Summary

Compound Target Summary

Calculated Compound Parent Properties

Mol. Weight Mol. Weight Monoisotopic ALogP #Rotatable Bonds Polar Surface Area Molecular Species
335.4 335.1594 -0.21 4 125.55 NEUTRAL


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
9 4 0 9 4 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
13.12 3.61 1.1 1.1 2 24 0.6

Structural Alerts

There are no structural alerts for CHEMBL68738

Compound Cross References

ChemSpider ChemSpider:SQMWSBKSHWARHU-SDBHATRESA-N
PubChem SID: 56462969 SID: 855973 SID: 90341273

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL68738



BindingDB 25400
eMolecules 29550706
FDA SRS 7LG47VG1ID
Guide to Pharmacology 380
IBM Patent System 867773559F96BA1D4510B87EE54EEEAE
MolPort MolPort-023-276-193
Nikkaji J265.087H
PDBe 3GU
PubChem 657378
PubChem: Drugs of the Future 81044338
PubChem: Thomson Pharma 14875446 14802119
SureChEMBL SCHEMBL120481
ZINC ZINC000003995996

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