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Ligand

NameCHEMBL3038198
Molecular formulaC27H32N2O3S
IUPAC name(1R,2S,6R,14R,15R)-5-(cyclopropylmethyl)-19-[(1S)-1-isothiocyanatoethyl]-11,15-dimethoxy-13-oxa-5-azahexacyclo[13.2.2.12,8.01,6.02,14.012,20]icosa-8(20),9,11,16-tetraene
Molecular weight464.624
Hydrogen bond acceptor6
Hydrogen bond donor0
XlogP5.1
SynonymsBDBM50013769
(S)-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 KeyCBPASLHMRDUOQC-OQICXIPYSA-N
Inchi IDInChI=1S/C27H32N2O3S/c1-16(28-15-33)19-13-25-8-9-27(19,31-3)24-26(25)10-11-29(14-17-4-5-17)21(25)12-18-6-7-20(30-2)23(32-24)22(18)26/h6-9,16-17,19,21,24H,4-5,10-14H2,1-3H3/t16-,19?,21+,24+,25+,26-,27+/m0/s1
PubChem CID73355827
ChEMBLCHEMBL3038198
IUPHARN/A
BindingDB50013769
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand has a partition coefficient log P greater than 5.

Known GPCRs

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Total entries: 1
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
38080Mu-type opioid receptorP79350OPRM1Bos taurus (Bovine)401

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