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Ligand

NameCHEMBL430950
Molecular formulaC22H25N3O5
IUPAC name(4R,4aS,7S,7aR,12bS)-3-(cyclopropylmethyl)-4a,9-dihydroxyspiro[2,4,5,6,7a,13-hexahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinoline-7,5'-imidazolidine]-2',4'-dione
Molecular weight411.458
Hydrogen bond acceptor6
Hydrogen bond donor4
XlogP-1.2
SynonymsBDBM50049561
Naltrexone derivative
Inchi KeyAXFDDKKRVFMVHY-OFAZKWMESA-N
Inchi IDInChI=1S/C22H25N3O5/c26-13-4-3-12-9-14-22(29)6-5-21(18(27)23-19(28)24-21)17-20(22,15(12)16(13)30-17)7-8-25(14)10-11-1-2-11/h3-4,11,14,17,26,29H,1-2,5-10H2,(H2,23,24,27,28)/t14-,17-,20+,21+,22-/m1/s1
PubChem CID44297167
ChEMBLCHEMBL430950
IUPHARN/A
BindingDB50049561
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
16645Mu-type opioid receptorP97266OPRM1Cavia porcellus (Guinea pig)98

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