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Ligand

NameCHEMBL3038199
Molecular formulaC28H31NO5
IUPAC name(5R)-5-[(1R,2S,6R,14R,15R,16R)-5-(cyclopropylmethyl)-11-hydroxy-15-methoxy-13-oxa-5-azahexacyclo[13.2.2.12,8.01,6.02,14.012,20]icosa-8(20),9,11,18-tetraen-16-yl]-3-methylideneoxolan-2-one
Molecular weight461.558
Hydrogen bond acceptor6
Hydrogen bond donor1
XlogP3.6
Synonyms5-(3-cyclopropylmethyl-11-hydroxy-15-methoxy-13-oxa-3-azahexacyclo[13.2.2.12,8.01,6.06,14.07,12]icosa-7,9,11,18-tetraen-16-yl)-3-methylenetetrahydro-2-furanone
(6R,14R)-17-Cyclopropylmethyl-4,5alpha-epoxy-6beta-methoxy-7alpha-[[(R)-tetrahydro-4-methylene-5-oxofuran]-2-yl]-6,14-ethenomorphinan-3-ol
BDBM50013764
Inchi KeyOZWOAKUHWIGMQA-IXUQSROBSA-N
Inchi IDInChI=1S/C28H31NO5/c1-15-11-20(33-24(15)31)18-13-26-7-8-28(18,32-2)25-27(26)9-10-29(14-16-3-4-16)21(26)12-17-5-6-19(30)23(34-25)22(17)27/h5-8,16,18,20-21,25,30H,1,3-4,9-14H2,2H3/t18-,20-,21-,25-,26-,27+,28-/m1/s1
PubChem CID73351274
ChEMBLCHEMBL3038199
IUPHARN/A
BindingDB50013764
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: 1
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
254399Mu-type opioid receptorP79350OPRM1Bos taurus (Bovine)401

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