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Ligand

NameCHEMBL1762693
Molecular formulaC31H42ClN7O3S
IUPAC name1-[2-[2-(4-chlorophenyl)ethylamino]-4-pyrrolidin-1-ylquinazolin-6-yl]sulfonyl-N-[1-(dimethylamino)propan-2-yl]piperidine-4-carboxamide
Molecular weight628.233
Hydrogen bond acceptor9
Hydrogen bond donor2
XlogP4.8
SynonymsBDBM50340738
1-(2-(4-chlorophenethylamino)-4-(pyrrolidin-1-yl)quinazolin-6-ylsulfonyl)-N-(1-(dimethylamino)propan-2-yl)piperidine-4-carboxamide
Inchi KeyKZWFJJHHDKUIBN-UHFFFAOYSA-N
Inchi IDInChI=1S/C31H42ClN7O3S/c1-22(21-37(2)3)34-30(40)24-13-18-39(19-14-24)43(41,42)26-10-11-28-27(20-26)29(38-16-4-5-17-38)36-31(35-28)33-15-12-23-6-8-25(32)9-7-23/h6-11,20,22,24H,4-5,12-19,21H2,1-3H3,(H,34,40)(H,33,35,36)
PubChem CID54585912
ChEMBLCHEMBL1762693
IUPHARN/A
BindingDB50340738
DrugBankN/A

Structure

SDF download

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

Known GPCRs

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Total entries: 1
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
182220Mas-related G-protein coupled receptor member X1Q96LB2MRGPRX1Homo sapiens (Human)322

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