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Ligand

NameCHEMBL606959
Molecular formulaC34H35N3O6
IUPAC name(1S,2S,7S,8S,12R,20R,24R,32R)-11,33-dimethyl-19,25-dioxa-11,22,33-triazaundecacyclo[24.9.1.18,14.01,24.02,32.04,23.05,21.07,12.08,20.030,36.018,37]heptatriaconta-4(23),5(21),14(37),15,17,26,28,30(36)-octaene-2,7,17,27-tetrol
Molecular weight581.669
Hydrogen bond acceptor8
Hydrogen bond donor5
XlogP1.7
SynonymsSCHEMBL19965774
17,17'-Dimethyl-6,6',7,7'-tetradehydro-4,5alpha:4',5'alpha-diepoxy-6,6'-imino-7,7'-bi(morphinan)-3,3',14,14'-tetrol
Inchi KeyASOVJVGZJDVADR-UCDXVGGRSA-N
Inchi IDInChI=1S/C34H35N3O6/c1-36-9-7-31-23-15-3-5-19(38)27(23)42-29(31)25-17(13-33(31,40)21(36)11-15)18-14-34(41)22-12-16-4-6-20(39)28-24(16)32(34,8-10-37(22)2)30(43-28)26(18)35-25/h3-6,21-22,29-30,35,38-41H,7-14H2,1-2H3/t21-,22-,29+,30+,31+,32+,33-,34-/m1/s1
PubChem CID13787553
ChEMBLCHEMBL606959
IUPHARN/A
BindingDBN/A
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand is heavier than 500 daltons.

Known GPCRs

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Total entries: 5
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
13379Delta-type opioid receptorP32300Oprd1Mus musculus (Mouse)372
13381Delta-type opioid receptorP33533Oprd1Rattus norvegicus (Rat)372
13380Kappa-type opioid receptorP41145OPRK1Homo sapiens (Human)380
13378Mu-type opioid receptorP33535Oprm1Rattus norvegicus (Rat)398
13382Mu-type opioid receptorP35372OPRM1Homo sapiens (Human)400

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