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Ligand

NameCHEMBL3038194
Molecular formulaC26H30N2O3S
IUPAC name(1R,2S,6R,14R,15R)-5-(cyclopropylmethyl)-19-[(1S)-1-isothiocyanatoethyl]-15-methoxy-13-oxa-5-azahexacyclo[13.2.2.12,8.01,6.02,14.012,20]icosa-8(20),9,11,16-tetraen-11-ol
Molecular weight450.597
Hydrogen bond acceptor6
Hydrogen bond donor1
XlogP4.8
SynonymsBDBM50013761
(R)-1-(3-cyclopropylmethyl-11,15-dimethoxy-13-oxa-3-azahexacyclo[13.2.2.12,8.01,6.06,14.07,12]icosa-7,9,11,18-tetraen-16-yl)ethyl isothiocyanate
Inchi KeyOUKDLWAAMCMZEI-TYYUINELSA-N
Inchi IDInChI=1S/C26H30N2O3S/c1-15(27-14-32)18-12-24-7-8-26(18,30-2)23-25(24)9-10-28(13-16-3-4-16)20(24)11-17-5-6-19(29)22(31-23)21(17)25/h5-8,15-16,18,20,23,29H,3-4,9-13H2,1-2H3/t15-,18?,20+,23+,24+,25-,26+/m0/s1
PubChem CID73346683
ChEMBLCHEMBL3038194
IUPHARN/A
BindingDB50013761
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
250601Mu-type opioid receptorP79350OPRM1Bos taurus (Bovine)401

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