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Ligand

NameCHEMBL1834750
Molecular formulaC31H31ClN4O3
IUPAC name4-(8-chloro-4-methyl-1-oxophthalazin-2-yl)-N-[(4R)-7-(piperidin-1-ylmethyl)-3,4-dihydro-2H-chromen-4-yl]benzamide
Molecular weight543.064
Hydrogen bond acceptor5
Hydrogen bond donor1
XlogP5.0
SynonymsBDBM50355058
Inchi KeyNQRUBKWGBPZKBW-HHHXNRCGSA-N
Inchi IDInChI=1S/C31H31ClN4O3/c1-20-24-6-5-7-26(32)29(24)31(38)36(34-20)23-11-9-22(10-12-23)30(37)33-27-14-17-39-28-18-21(8-13-25(27)28)19-35-15-3-2-4-16-35/h5-13,18,27H,2-4,14-17,19H2,1H3,(H,33,37)/t27-/m1/s1
PubChem CID56594772
ChEMBLCHEMBL1834750
IUPHARN/A
BindingDB50355058
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand is heavier than 500 daltons.

Known GPCRs

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Total entries: 2
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
229764B1 bradykinin receptorP48748BDKRB1Oryctolagus cuniculus (Rabbit)352
229765B1 bradykinin receptorP46663BDKRB1Homo sapiens (Human)353

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