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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL60542
CHEMBL60542
Compound Name (+)-PENTAZOCINE
ChEMBL Synonyms [3H]-(+)-Pentazocine | (+)-[3H]-Pentazocine | (+)-Pentazocine
Max Phase 0
Trade Names
Molecular Formula C19H27NO

Additional synonyms for CHEMBL60542 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES C[C@@H]1[C@@H]2Cc3ccc(O)cc3[C@@]1(C)CCN2CC=C(C)C
Standard InChI InChI=1S/C19H27NO/c1-13(2)7-9-20-10-8-19(4)14(3)18(20)11-15- ...
Download InChI
Standard InChI Key VOKSWYLNZZRQPF-CCKFTAQKSA-N

Sources

  • PubChem BioAssays
  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL60542

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
285.4 285.2093 3.88 2 23.47 BASE


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
2 1 0 2 1 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
10.1 8.94 4.15 2.61 1 21 0.83

Structural Alerts

There are 1 structural alerts for CHEMBL60542. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:VOKSWYLNZZRQPF-CCKFTAQKSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL60542



BindingDB 50423875 50035131
eMolecules 29534602
FDA SRS A2G9VU2P2J
IBM Patent System 09C9410FA11B5BA13C2DCC25A3506BE9
Nikkaji J356.522J
PDBe GM4
PubChem 12259685
SureChEMBL SCHEMBL4461209
ZINC ZINC000002015833

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