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Ligand

NameCHEMBL1762702
Molecular formulaC28H36ClN7O2
IUPAC name2-[4-[2-[2-(4-chlorophenyl)ethylamino]pyrimidin-4-yl]piperazin-1-yl]-N-(3-methoxypropyl)-N-(pyridin-4-ylmethyl)acetamide
Molecular weight538.093
Hydrogen bond acceptor8
Hydrogen bond donor1
XlogP3.5
Synonyms2-(4-(2-(4-chlorophenethylamino)pyrimidin-4-yl)piperazin-1-yl)-N-(3-methoxypropyl)-N-(pyridin-4-ylmethyl)acetamide
BDBM50340747
Inchi KeyBVFXQUSSAAQIQC-UHFFFAOYSA-N
Inchi IDInChI=1S/C28H36ClN7O2/c1-38-20-2-15-36(21-24-7-11-30-12-8-24)27(37)22-34-16-18-35(19-17-34)26-10-14-32-28(33-26)31-13-9-23-3-5-25(29)6-4-23/h3-8,10-12,14H,2,9,13,15-22H2,1H3,(H,31,32,33)
PubChem CID54580025
ChEMBLCHEMBL1762702
IUPHARN/A
BindingDB50340747
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
33689Mas-related G-protein coupled receptor member X1Q96LB2MRGPRX1Homo sapiens (Human)322

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