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Ligand

NameCHEMBL1762705
Molecular formulaC26H31BrClN7O
IUPAC nameN-[(3-bromopyridin-4-yl)methyl]-2-[4-[2-[2-(4-chlorophenyl)ethylamino]pyrimidin-4-yl]piperazin-1-yl]-N-ethylacetamide
Molecular weight572.936
Hydrogen bond acceptor7
Hydrogen bond donor1
XlogP4.4
SynonymsBDBM50340751
N-((3-bromopyridin-4-yl)methyl)-2-(4-(2-(4-chlorophenethylamino)pyrimidin-4-yl)piperazin-1-yl)-N-ethylacetamide
Inchi KeyMLTPNRWKWZEDMK-UHFFFAOYSA-N
Inchi IDInChI=1S/C26H31BrClN7O/c1-2-34(18-21-8-10-29-17-23(21)27)25(36)19-33-13-15-35(16-14-33)24-9-12-31-26(32-24)30-11-7-20-3-5-22(28)6-4-20/h3-6,8-10,12,17H,2,7,11,13-16,18-19H2,1H3,(H,30,31,32)
PubChem CID54581020
ChEMBLCHEMBL1762705
IUPHARN/A
BindingDB50340751
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
208646Mas-related G-protein coupled receptor member X1Q96LB2MRGPRX1Homo sapiens (Human)322

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