Cyclopamine

Basic Information

CAS ID: 4449-51-8
Molecular Formula: C27H41NO2
Molecular Weight: 411.6 g/mol
Monoisotopic Mass: 411.3137 g/mol
Class: Small Molecule
Natural Product: No
Other Names: [3H]-Cyclopamine | Cyclopamine
Analysis: Drug repositioning mechanism analysis

NH O OH

Compound Structure and Identifier

InChI: 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 See All
InChI Key: QASFUMOKHFSJGL-LAFRSMQTSA-N
Smiles: C[C@@H]1CN[C@@H]2[C@@H](C1)O[C@]3(CC[C@H]4[C@@H]5CC=C6C[C@@H](O)CC[C@]6(C)[C@H]5CC4=C3C)[C@@H]2C See All
Molfile: Download

Related Target

Target ID Name Interaction
T0147 Smoothened homolog inhibitor

Related Fibrosis Property

Reference Record 1

PubMed ID 28052321 Target ID T0147
Uniprot ID Smoothened homolog Name Smoothened homolog
Model vitro,mice,rat Fibrosis Disease Liver fibrosis
Process I
Process II
Process III prevenet collagen deposition
Mechanism Targeting hedgehog signaling

Reference Record 2

PubMed ID 22994359 Target ID T0147
Uniprot ID Smoothened homolog Name Smoothened homolog
Model rat Fibrosis Disease Liver fibrosis
Process I
Process II EMT,HSCs activation,cells proliferation,cells apoptosis
Process III prevenet collagen deposition
Mechanism

Reference Record 3

PubMed ID 19577569 Target ID T0147
Uniprot ID Smoothened homolog Name Smoothened homolog
Model vitro,human,mice Fibrosis Disease Liver fibrosis
Process I
Process II EMT
Process III
Mechanism Targeting Hh signaling

Reference Record 4

PubMed ID 29065414 Target ID T0147
Uniprot ID Smoothened homolog Name Smoothened homolog
Model mice Fibrosis Disease Cardiac fibrosis
Process I
Process II cells apoptosis
Process III prevenet collagen deposition
Mechanism Targeting AKT/mTOR/p70S6K signaling

Related Link

PubChem: 442972
ChEMBL: CHEMBL254129