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Ligand

NameMLS001215955
Molecular formulaC24H30O5
IUPAC name(9S,10S,13R,17R)-3,5-dihydroxy-13-methyl-17-(6-oxopyran-3-yl)-1,2,3,4,6,7,8,9,11,12,16,17-dodecahydrocyclopenta[a]phenanthrene-10-carbaldehyde
Molecular weight398.499
Hydrogen bond acceptor5
Hydrogen bond donor2
XlogP2.4
Synonyms(9S,10S,13R,17R)-13-methyl-3,5-bis(oxidanyl)-17-(6-oxidanylidenepyran-3-yl)-1,2,3,4,6,7,8,9,11,12,16,17-dodecahydrocyclopenta[a]phenanthrene-10-carbaldehyde
CHEMBL1344346
(9S,10S,13R,17R)-3,5-dihydroxy-17-(6-ketopyran-3-yl)-13-methyl-1,2,3,4,6,7,8,9,11,12,16,17-dodecahydrocyclopenta[a]phenanthrene-10-carbaldehyde
MCULE-6300906836
BDBM97138
[ Show all ]
Inchi KeyGINUJYZEMXGGKW-ZIRAPXTMSA-N
Inchi IDInChI=1S/C24H30O5/c1-22-9-8-20-17(7-11-24(28)12-16(26)6-10-23(20,24)14-25)19(22)4-3-18(22)15-2-5-21(27)29-13-15/h2,4-5,13-14,16-18,20,26,28H,3,6-12H2,1H3/t16?,17?,18-,20-,22+,23-,24?/m0/s1
PubChem CID16407310
ChEMBLCHEMBL1344346
IUPHARN/A
BindingDB97138
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: 3
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
97382Galanin receptor type 3O60755GALR3Homo sapiens (Human)368
97383Glucagon-like peptide 1 receptorP43220GLP1RHomo sapiens (Human)463
97384Thyrotropin receptorP16473TSHRHomo sapiens (Human)764

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