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Ligand

NameCHEMBL1684574
Molecular formulaC27H33ClN4O3
IUPAC name2-[2-(3-chlorophenyl)-4-oxo-6-(3-piperidin-1-ylpropoxy)quinazolin-3-yl]-N-propan-2-ylacetamide
Molecular weight497.036
Hydrogen bond acceptor5
Hydrogen bond donor1
XlogP4.5
SynonymsBDBM50338811
MOMPUOVKLQCIDO-UHFFFAOYSA-N
2-[2-(3-Chlorophenyl)-4-oxo-6-(3-piperidin-1-ylpropoxy)-4H-quinazolin-3-yl]-N-isopropylacetamide
SCHEMBL3116140
2-(2-(3-chlorophenyl)-4-oxo-6-(3-(piperidin-1-yl)propoxy)quinazolin-3(4H)-yl)-N-isopropylacetamide
Inchi KeyMOMPUOVKLQCIDO-UHFFFAOYSA-N
Inchi IDInChI=1S/C27H33ClN4O3/c1-19(2)29-25(33)18-32-26(20-8-6-9-21(28)16-20)30-24-11-10-22(17-23(24)27(32)34)35-15-7-14-31-12-4-3-5-13-31/h6,8-11,16-17,19H,3-5,7,12-15,18H2,1-2H3,(H,29,33)
PubChem CID11854507
ChEMBLCHEMBL1684574
IUPHARN/A
BindingDB50338811
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: 5
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
210512Oxytocin receptorP30559OXTRHomo sapiens (Human)389
210511Vasopressin V1a receptorP37288AVPR1AHomo sapiens (Human)418
210509Vasopressin V1b receptorP48974Avpr1bRattus norvegicus (Rat)425
210510Vasopressin V1b receptorP47901AVPR1BHomo sapiens (Human)424
210508Vasopressin V2 receptorP30518AVPR2Homo sapiens (Human)371

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