cyclopamine

Ligand id: 10328

Name: cyclopamine

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 3
Hydrogen bond donors 2
Rotatable bonds 0
Topological polar surface area 41.49
Molecular weight 411.31
XLogP 3.65
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

Classification
Compound class Natural product or derivative
Synonyms
11-Deoxyjervine
Comments
Cyclopamine is a SMO antagonist that acts as a potent inhibitor of the Hedgehog (Hh) signaling pathway [1]. It is a natural product present in the roots and rhizomes of Veratrum californicum (corn lily). Multiple structures with alternative stereochemistry are recorded in online chemistry resources.
Database Links
BindingDB Ligand 50232973
ChEMBL Ligand CHEMBL254129
GtoPdb PubChem SID 381745009
PubChem CID 442972
RCSB PDB Ligand CY8
Search Google for chemical match using the InChIKey QASFUMOKHFSJGL-LAFRSMQTSA-N
Search Google for chemicals with the same backbone QASFUMOKHFSJGL
Search UniChem for chemical match using the InChIKey QASFUMOKHFSJGL-LAFRSMQTSA-N
Search UniChem for chemicals with the same backbone QASFUMOKHFSJGL

Product suppliers

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Tocris
Cyclopamine
Cat. No. 1623