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Ligand

NameCHEMBL295532
Molecular formulaC33H35N7O2
IUPAC name6-[(2R,3aR)-2-methyl-3a,4,5,6-tetrahydro-3H-pyrrolo[1,2-b][1,2]oxazol-2-yl]-2-butyl-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]quinazolin-4-one
Molecular weight561.69
Hydrogen bond acceptor7
Hydrogen bond donor1
XlogP5.4
SynonymsBDBM50282791
SCHEMBL9295794
2-Butyl-6-((2R,3aR)-2-methyl-hexahydro-pyrrolo[1,2-b]isoxazol-2-yl)-3-[2''-(1H-tetrazol-5-yl)-biphenyl-4-ylmethyl]-3H-quinazolin-4-one
Inchi KeyAAZOKMBAJGOCHB-INJOXJOKSA-N
Inchi IDInChI=1S/C33H35N7O2/c1-3-4-11-30-34-29-17-16-24(33(2)20-25-8-7-18-40(25)42-33)19-28(29)32(41)39(30)21-22-12-14-23(15-13-22)26-9-5-6-10-27(26)31-35-37-38-36-31/h5-6,9-10,12-17,19,25H,3-4,7-8,11,18,20-21H2,1-2H3,(H,35,36,37,38)/t25-,33-/m1/s1
PubChem CID15233933
ChEMBLCHEMBL295532
IUPHARN/A
BindingDB50282791
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
662Type-1 angiotensin II receptorP25104AGTR1Bos taurus (Bovine)359

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