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Ligand

NameLopac-P-8887
Molecular formulaC21H34O2
IUPAC name1-[(3S,5S,8S,9R,10S,13S,14S,17R)-3-hydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]ethanone
Molecular weight318.501
Hydrogen bond acceptor2
Hydrogen bond donor1
XlogP4.9
Synonyms1-[(3S,5S,8S,9R,10S,13S,14S,17R)-3-hydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]ethanone
CHEMBL1415777
AC1O7G63
NCGC00015853-01
Inchi KeyAURFZBICLPNKBZ-USCZNDJGSA-N
Inchi IDInChI=1S/C21H34O2/c1-13(22)17-6-7-18-16-5-4-14-12-15(23)8-10-20(14,2)19(16)9-11-21(17,18)3/h14-19,23H,4-12H2,1-3H3/t14-,15-,16+,17-,18-,19+,20-,21+/m0/s1
PubChem CID6603974
ChEMBLCHEMBL1415777
IUPHARN/A
BindingDBN/A
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand satisfies Lipinski's rule of five.

Known GPCRs

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Total entries: 1
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
14917Muscarinic acetylcholine receptor M1P08482Chrm1Rattus norvegicus (Rat)460

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