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Ligand

NameCHEMBL2063139
Molecular formulaC27H42
IUPAC name(1R,3aS,4E,7aR)-7a-methyl-1-[(2R)-6-methylheptan-2-yl]-4-[(2Z)-2-(6-methylidenecyclohex-2-en-1-ylidene)ethylidene]-2,3,3a,5,6,7-hexahydro-1H-indene
Molecular weight366.633
Hydrogen bond acceptor0
Hydrogen bond donor0
XlogP9.0
SynonymsN/A
Inchi KeyCALMDOIPRFJZMC-VDVRBEGSSA-N
Inchi IDInChI=1S/C27H42/c1-20(2)10-8-12-22(4)25-17-18-26-24(14-9-19-27(25,26)5)16-15-23-13-7-6-11-21(23)3/h7,13,15-16,20,22,25-26H,3,6,8-12,14,17-19H2,1-2,4-5H3/b23-15-,24-16+/t22-,25-,26+,27-/m1/s1
PubChem CID70686516
ChEMBLCHEMBL2063139
IUPHARN/A
BindingDBN/A
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand has a partition coefficient log P greater than 5.

Known GPCRs

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Total entries: 1
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
37287Smoothened homologQ99835SMOHomo sapiens (Human)787

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