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Ligand

NameCHEMBL101072
Molecular formulaC37H54N4O3
IUPAC name(1R)-N-[1-(6-aminohexylamino)-4-methyl-1-oxopentan-2-yl]-2-[[(1R)-4-hydroxy-1,13-dimethyl-10-azatricyclo[7.3.1.02,7]trideca-2(7),3,5-trien-10-yl]methyl]-1-phenylcyclopropane-1-carboxamide
Molecular weight602.864
Hydrogen bond acceptor5
Hydrogen bond donor4
XlogP5.9
SynonymsBDBM50091007
2-(8-Hydroxy-6,11-dimethyl-1,2,5,6-tetrahydro-4H-2,6-methano-benzo[d]azocin-3-ylmethyl)-1-phenyl-cyclopropanecarboxylic acid [1-(6-amino-hexylcarbamoyl)-3-methyl-butyl]-amide
Inchi KeyAHZXOZHBNFQCFJ-CYSYYESTSA-N
Inchi IDInChI=1S/C37H54N4O3/c1-25(2)20-32(34(43)39-18-11-6-5-10-17-38)40-35(44)37(28-12-8-7-9-13-28)23-29(37)24-41-19-16-36(4)26(3)33(41)21-27-14-15-30(42)22-31(27)36/h7-9,12-15,22,25-26,29,32-33,42H,5-6,10-11,16-21,23-24,38H2,1-4H3,(H,39,43)(H,40,44)/t26?,29?,32?,33?,36-,37+/m1/s1
PubChem CID44332812
ChEMBLCHEMBL101072
IUPHARN/A
BindingDB50091007
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand is heavier than 500 daltons.
This ligand has a partition coefficient log P greater than 5.

Known GPCRs

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Total entries: 3
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
6028Delta-type opioid receptorP33533Oprd1Rattus norvegicus (Rat)372
6027Kappa-type opioid receptorP41144OPRK1Cavia porcellus (Guinea pig)380
6029Mu-type opioid receptorP33535Oprm1Rattus norvegicus (Rat)398

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