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Ligand

Namecremastrine
Molecular formulaC14H25NO3
IUPAC name[(1S,8S)-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl]methyl (2R,3R)-2-hydroxy-3-methylpentanoate
Molecular weight255.358
Hydrogen bond acceptor4
Hydrogen bond donor1
XlogP2.2
Synonymspentanoic acid, 2-hydroxy-3-methyl-, [(1S,7aS)-hexahydro-1H-pyrrolizin-1-yl]methyl ester, (2R,3R)-
BDBM50259847
[(1S,8S)-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl]methyl (2R,3R)-2-hydroxy-3-methylpentanoate
D0Z5RQ
AC1LCUUY
[ Show all ]
Inchi KeyAVBKRVFZNFJQBK-FVCCEPFGSA-N
Inchi IDInChI=1S/C14H25NO3/c1-3-10(2)13(16)14(17)18-9-11-6-8-15-7-4-5-12(11)15/h10-13,16H,3-9H2,1-2H3/t10-,11-,12+,13-/m1/s1
PubChem CID656392
ChEMBLCHEMBL480464
IUPHARN/A
BindingDB50259847
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: 5
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
15155Muscarinic acetylcholine receptor M1P11229CHRM1Homo sapiens (Human)460
15156Muscarinic acetylcholine receptor M2P08172CHRM2Homo sapiens (Human)466
15157Muscarinic acetylcholine receptor M3P20309CHRM3Homo sapiens (Human)590
15153Muscarinic acetylcholine receptor M4P08173CHRM4Homo sapiens (Human)479
15154Muscarinic acetylcholine receptor M5P08912CHRM5Homo sapiens (Human)532

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