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Ligand

NameCHEMBL2338752
Molecular formulaC32H39NO4
IUPAC name(1S,2S,6R,14R,15R,16R)-5-(cyclopropylmethyl)-16-[(2R)-2-hydroxy-1-phenylpropan-2-yl]-15-methoxy-13-oxa-5-azahexacyclo[13.2.2.12,8.01,6.02,14.012,20]icosa-8(20),9,11-trien-11-ol
Molecular weight501.667
Hydrogen bond acceptor5
Hydrogen bond donor2
XlogP5.2
SynonymsBDBM50430617
Inchi KeyAGFBWCLIEGGCOZ-PPMCTTEPSA-N
Inchi IDInChI=1S/C32H39NO4/c1-29(35,17-20-6-4-3-5-7-20)24-18-30-12-13-32(24,36-2)28-31(30)14-15-33(19-21-8-9-21)25(30)16-22-10-11-23(34)27(37-28)26(22)31/h3-7,10-11,21,24-25,28,34-35H,8-9,12-19H2,1-2H3/t24-,25-,28-,29-,30-,31+,32-/m1/s1
PubChem CID71624662
ChEMBLCHEMBL2338752
IUPHARN/A
BindingDB50430617
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: 2
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
4824Kappa-type opioid receptorP41145OPRK1Homo sapiens (Human)380
4825Mu-type opioid receptorP33535Oprm1Rattus norvegicus (Rat)398

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