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Ligand

NameCHEMBL1762698
Molecular formulaC29H32ClN7O2
IUPAC name2-[4-[2-[2-(4-chlorophenyl)ethylamino]pyrimidin-4-yl]piperazin-1-yl]-N-(furan-2-ylmethyl)-N-(pyridin-4-ylmethyl)acetamide
Molecular weight546.072
Hydrogen bond acceptor8
Hydrogen bond donor1
XlogP3.9
Synonyms2-(4-(2-(4-chlorophenethylamino)pyrimidin-4-yl)piperazin-1-yl)-N-(furan-2-ylmethyl)-N-(pyridin-4-ylmethyl)acetamide
BDBM50340743
Inchi KeyYLXAZKZWRUFTSA-UHFFFAOYSA-N
Inchi IDInChI=1S/C29H32ClN7O2/c30-25-5-3-23(4-6-25)9-13-32-29-33-14-10-27(34-29)36-17-15-35(16-18-36)22-28(38)37(21-26-2-1-19-39-26)20-24-7-11-31-12-8-24/h1-8,10-12,14,19H,9,13,15-18,20-22H2,(H,32,33,34)
PubChem CID54584943
ChEMBLCHEMBL1762698
IUPHARN/A
BindingDB50340743
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
413377Mas-related G-protein coupled receptor member X1Q96LB2MRGPRX1Homo sapiens (Human)322

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