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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL254129
CHEMBL254129
Compound Name CYCLOPAMINE
ChEMBL Synonyms [3H]-Cyclopamine | Cyclopamine
Max Phase 0
Trade Names
Molecular Formula C27H41NO2

Additional synonyms for CHEMBL254129 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES C[C@@H]1CN[C@@H]2[C@@H](C1)O[C@]3(CC[C@H]4[C@@H]5CC=C6C[C@@H ...
Download SMILES
Standard InChI InChI=1S/C27H41NO2/c1-15-11-24-25(28-14-15)17(3)27(30-24)10- ...
Download InChI
Standard InChI Key QASFUMOKHFSJGL-LAFRSMQTSA-N

Alternate Forms of Compound in ChEMBL


CHEMBL254129

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
411.6 411.3137 4.26 0 41.48 BASE


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
3 2 0 3 2 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
- 10.58 6.1 3.26 0 30 0.59

Structural Alerts

There are 1 structural alerts for CHEMBL254129. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:QASFUMOKHFSJGL-LAFRSMQTSA-N
PubChem SID: 144210949 SID: 26756862 SID: 29216423
Wikipedia Cyclopamine

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL254129



ACToR 4449-51-8
BindingDB 50232973
ChEBI 4021
eMolecules 536081 29547196
EPA CompTox Dashboard DTXSID6043709
FDA SRS ZH658AJ192
IBM Patent System 0DA958C4E456FB57F1D23D584E3A4CED
KEGG Ligand C10798
LINCS LSM-3304
MolPort MolPort-003-983-744
Nikkaji J15.137H
PDBe CY8
PubChem 442972
PubChem: Thomson Pharma 14928900 14855402
Selleck Cyclopamine
SureChEMBL SCHEMBL29153

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