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Ligand

NameCHEMBL1762699
Molecular formulaC31H34ClN7O
IUPAC nameN-benzyl-2-[4-[2-[2-(4-chlorophenyl)ethylamino]pyrimidin-4-yl]piperazin-1-yl]-N-(pyridin-4-ylmethyl)acetamide
Molecular weight556.111
Hydrogen bond acceptor7
Hydrogen bond donor1
XlogP4.8
SynonymsBDBM50340744
N-benzyl-2-(4-(2-(4-chlorophenethylamino)pyrimidin-4-yl)piperazin-1-yl)-N-(pyridin-4-ylmethyl)acetamide
Inchi KeyOWGWIDVJYFPTSN-UHFFFAOYSA-N
Inchi IDInChI=1S/C31H34ClN7O/c32-28-8-6-25(7-9-28)12-16-34-31-35-17-13-29(36-31)38-20-18-37(19-21-38)24-30(40)39(22-26-4-2-1-3-5-26)23-27-10-14-33-15-11-27/h1-11,13-15,17H,12,16,18-24H2,(H,34,35,36)
PubChem CID54584944
ChEMBLCHEMBL1762699
IUPHARN/A
BindingDB50340744
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
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GLASS IDNameUniProtGeneSpeciesLength
251834Mas-related G-protein coupled receptor member X1Q96LB2MRGPRX1Homo sapiens (Human)322

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