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Ligand

NameMLS002320750
Molecular formulaC27H28ClNO4
IUPAC name(4R,4aS,6E,12bS)-6-benzylidene-3-(cyclopropylmethyl)-4a,9-dihydroxy-1,2,4,5,7a,13-hexahydro-4,12-methanobenzofuro[3,2-e]isoquinolin-7-one;hydrochloride
Molecular weight465.974
Hydrogen bond acceptor5
Hydrogen bond donor3
XlogPNone
SynonymsSMR001338896
CHEMBL1521291
7-Benzylidene-7-dehydronaltrexone (BNTX) hydrochloride
Inchi KeyAHCJSCIBHORNDI-LCFORMMBSA-N
Inchi IDInChI=1S/C27H27NO4.ClH/c29-20-9-8-18-13-21-27(31)14-19(12-16-4-2-1-3-5-16)23(30)25-26(27,22(18)24(20)32-25)10-11-28(21)15-17-6-7-17;/h1-5,8-9,12,17,21,25,29,31H,6-7,10-11,13-15H2;1H/b19-12+;/t21-,25?,26+,27-;/m1./s1
PubChem CID44246746
ChEMBLCHEMBL1521291
IUPHARN/A
BindingDBN/A
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessPartition coefficient log P of this ligand is not available.

Known GPCRs

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Total entries: 3
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
5432Glucagon-like peptide 1 receptorP43220GLP1RHomo sapiens (Human)463
463540Parathyroid hormone/parathyroid hormone-related peptide receptorQ03431PTH1RHomo sapiens (Human)593
5431Type-1 angiotensin II receptorP30556AGTR1Homo sapiens (Human)359

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