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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL277642
CHEMBL277642
Compound Name HIMBACINE
ChEMBL Synonyms Himbacine
Max Phase 0
Trade Names
Molecular Formula C22H35NO2

Additional synonyms for CHEMBL277642 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES C[C@H]1CCC[C@H](\C=C\[C@@H]2[C@H]3CCCC[C@@H]3C[C@H]4[C@@H]2[ ...
Download SMILES
Standard InChI InChI=1S/C22H35NO2/c1-14-7-6-9-17(23(14)3)11-12-19-18-10-5-4 ...
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Standard InChI Key FMPNFDSPHNUFOS-LPJDIUFZSA-N

Structural Alerts

There are 2 structural alerts for CHEMBL277642. To view alerts please click here.

Alternate Forms of Compound in ChEMBL


CHEMBL277642

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
345.5 345.2668 4.65 2 29.54 BASE


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
3 0 0 3 0 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
- 10.14 5.12 2.54 0 25 0.54

Compound Cross References

ChemSpider ChemSpider:FMPNFDSPHNUFOS-LPJDIUFZSA-N
PubChem SID: 26756607
Wikipedia Himbacine

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL277642



BindingDB 50076089
ChEBI 5720
FDA SRS M17C7V122D
Guide to Pharmacology 324
Nikkaji J14.858J
PubChem 6436265
PubChem: Thomson Pharma 14875967 16833336
SureChEMBL SCHEMBL194692

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