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Ligand

NameCHEMBL574175
Molecular formulaC29H29ClN2O3
IUPAC name(4R,4aS,7aR,12bR)-4a-[3-(4-chlorophenyl)prop-2-ynylamino]-3-(cyclopropylmethyl)-9-hydroxy-2,4,5,6,7a,13-hexahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinolin-7-one
Molecular weight489.012
Hydrogen bond acceptor5
Hydrogen bond donor2
XlogP4.7
SynonymsBDBM50299727
N-Cyclopropylmethyl-14beta-[3''-(4''''-chlorophenyl)-propargylamino]-7,8-dihydronormorphinone
Inchi KeyAJQMWPWKTSOHEA-ZLPBPMGLSA-N
Inchi IDInChI=1S/C29H29ClN2O3/c30-21-8-5-18(6-9-21)2-1-14-31-29-12-11-23(34)27-28(29)13-15-32(17-19-3-4-19)24(29)16-20-7-10-22(33)26(35-27)25(20)28/h5-10,19,24,27,31,33H,3-4,11-17H2/t24-,27+,28+,29-/m1/s1
PubChem CID44541248
ChEMBLCHEMBL574175
IUPHARN/A
BindingDB50299727
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
7133Delta-type opioid receptorP41143OPRD1Homo sapiens (Human)372
7132Kappa-type opioid receptorP41145OPRK1Homo sapiens (Human)380
7134Mu-type opioid receptorP35372OPRM1Homo sapiens (Human)400

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