Drug Information

Drug General Information
Drug ID
D05UKJ
Former ID
DNC009664
Drug Name
CYCLOPAMINE
Drug Type
Small molecular drug
Indication Discovery agent Investigative [529870]
Structure
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2D MOL

3D MOL
Formula
C27H41NO2
Canonical SMILES
CC1CC2C(C(C3(O2)CCC4C5CC=C6CC(CCC6(C5CC4=C3C)C)O)C)NC1
InChI
1S/C27H41NO2/c1-15-11-24-25(28-14-15)17(3)27(30-24)10-8-20-21-6-5-18-12-19(29)7-9-26(18,4)23(21)13-22(20)16(27)2/h5,15,17,19-21,23-25,28-29H,6-14H2,1-4H3/t15-,17+,19-,20-,21-,23-,24+,25-,26-,27-/m0/s1
InChIKey
QASFUMOKHFSJGL-LAFRSMQTSA-N
PubChem Compound ID
442972
Target and Pathway
Target(s) smoothened receptor Target Info Inhibitor [529870]
KEGG Pathway Hedgehog signaling pathway
Pathways in cancer
Proteoglycans in cancer
Basal cell carcinoma
PANTHER Pathway Hedgehog signaling pathway
Pathway Interaction Database Signaling events mediated by the Hedgehog family
Hedgehog signaling events mediated by Gli proteins
Reactome Class B/2 (Secretin family receptors)
Hedgehog 'off' state
Activation of SMO
WikiPathways Hedgehog Signaling Pathway
Hair Follicle Development: Organogenesis (Part 2 of 3)
Hair Follicle Development: Induction (Part 1 of 3)
Integrated Pancreatic Cancer Pathway
GPCR ligand binding
GPCRs, Other
References
Ref 529870Bioorg Med Chem Lett. 2009 Jan 15;19(2):328-31. Epub 2008 Dec 3.Identification and structure-activity relationships of ortho-biphenyl carboxamides as potent Smoothened antagonists inhibiting the Hedgehog signaling pathway.
Ref 529870Bioorg Med Chem Lett. 2009 Jan 15;19(2):328-31. Epub 2008 Dec 3.Identification and structure-activity relationships of ortho-biphenyl carboxamides as potent Smoothened antagonists inhibiting the Hedgehog signaling pathway.

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