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Ligand

NameCHEMBL346165
Molecular formulaC27H27N3O3
IUPAC name(1S,2S,10R,18R)-19-(cyclopropylmethyl)-6-pyrrol-1-yl-11-oxa-8,19-diazahexacyclo[10.9.1.01,10.02,18.04,9.016,22]docosa-4,6,8,12,14,16(22)-hexaene-2,13-diol
Molecular weight441.531
Hydrogen bond acceptor5
Hydrogen bond donor2
XlogP2.9
SynonymsBDBM50123279
(6R)-9-(1H-Pyrrole-1-yl)-15-(cyclopropylmethyl)-5,6,6a,7,12,12a-hexahydro-1,12alpha-epoxy-6beta,12abeta-(epiminoethano)naphtho[2,1-g]quinoline-2,6abeta-diol
19-cyclopropylmethyl-6-(1H-1-pyrrolyl)-11-oxa-8,19-diazahexacyclo[10.9.1.01,10.02,18.04,9.016,22]docosa-4(9),5,7,12,14,16(22)-hexaene-2,13-diol
Inchi KeyAQPCHMHRVHPFAE-NVSKSXHLSA-N
Inchi IDInChI=1S/C27H27N3O3/c31-20-6-5-17-12-21-27(32)13-18-11-19(29-8-1-2-9-29)14-28-23(18)25-26(27,22(17)24(20)33-25)7-10-30(21)15-16-3-4-16/h1-2,5-6,8-9,11,14,16,21,25,31-32H,3-4,7,10,12-13,15H2/t21-,25+,26+,27-/m1/s1
PubChem CID10433421
ChEMBLCHEMBL346165
IUPHARN/A
BindingDB50123279
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: 8
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
11976Delta-type opioid receptorP32300Oprd1Mus musculus (Mouse)372
11978Delta-type opioid receptorP33533Oprd1Rattus norvegicus (Rat)372
11982Delta-type opioid receptorP41143OPRD1Homo sapiens (Human)372
11980Kappa-type opioid receptorP41144OPRK1Cavia porcellus (Guinea pig)380
11981Kappa-type opioid receptorP41145OPRK1Homo sapiens (Human)380
11977Mu-type opioid receptorP97266OPRM1Cavia porcellus (Guinea pig)98
11979Mu-type opioid receptorP35372OPRM1Homo sapiens (Human)400
11983Mu-type opioid receptorP33535Oprm1Rattus norvegicus (Rat)398

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