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Ligand

NameCHEMBL1762700
Molecular formulaC30H31Cl3N8O
IUPAC name2-[4-[2-[2-(4-chlorophenyl)ethylamino]pyrimidin-4-yl]piperazin-1-yl]-N-[(3,5-dichloropyridin-4-yl)methyl]-N-(pyridin-4-ylmethyl)acetamide
Molecular weight625.983
Hydrogen bond acceptor8
Hydrogen bond donor1
XlogP5.0
SynonymsBDBM50340745
2-(4-(2-(4-chlorophenethylamino)pyrimidin-4-yl)piperazin-1-yl)-N-((3,5-dichloropyridin-4-yl)methyl)-N-(pyridin-4-ylmethyl)acetamide
Inchi KeySIDDLPPKYXYJJX-UHFFFAOYSA-N
Inchi IDInChI=1S/C30H31Cl3N8O/c31-24-3-1-22(2-4-24)7-11-36-30-37-12-8-28(38-30)40-15-13-39(14-16-40)21-29(42)41(19-23-5-9-34-10-6-23)20-25-26(32)17-35-18-27(25)33/h1-6,8-10,12,17-18H,7,11,13-16,19-21H2,(H,36,37,38)
PubChem CID54581018
ChEMBLCHEMBL1762700
IUPHARN/A
BindingDB50340745
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
314947Mas-related G-protein coupled receptor member X1Q96LB2MRGPRX1Homo sapiens (Human)322

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