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Ligand

NameCHEMBL158557
Molecular formulaC33H29NO7
IUPAC name5-[(4-carboxyphenyl)methoxy]-2-(2,2-diphenylacetyl)-6-methoxy-3,4-dihydro-1H-isoquinoline-3-carboxylic acid
Molecular weight551.595
Hydrogen bond acceptor7
Hydrogen bond donor2
XlogP5.1
SynonymsBDBM50282409
(RS)-5-(4-Carboxyphenylmethoxy)-2-(diphenylacetyl) -1,2,3,4-tetrahydro-6-methoxy-3-isoquinolinecarboxylic acid
SCHEMBL3519228
(RS)-5-(4-Carboxyphenylmethoxy)-2-(diphenylacetyl)-1,2,3,4-tetrahydro-6-methoxy-3-isoquinolinecarboxylic acid
ADYTVTJZRCKUAV-UHFFFAOYSA-N
[ Show all ]
Inchi KeyADYTVTJZRCKUAV-UHFFFAOYSA-N
Inchi IDInChI=1S/C33H29NO7/c1-40-28-17-16-25-19-34(31(35)29(22-8-4-2-5-9-22)23-10-6-3-7-11-23)27(33(38)39)18-26(25)30(28)41-20-21-12-14-24(15-13-21)32(36)37/h2-17,27,29H,18-20H2,1H3,(H,36,37)(H,38,39)
PubChem CID15296726
ChEMBLCHEMBL158557
IUPHARN/A
BindingDB50282409
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand is heavier than 500 daltons.
This ligand has a partition coefficient log P greater than 5.

Known GPCRs

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Total entries: 1
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
3235Type-2 angiotensin II receptorP50052AGTR2Homo sapiens (Human)363

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