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Ligand

NameCHEMBL1762707
Molecular formulaC31H39Cl3N8O2
IUPAC name2-[4-[2-[2-(4-chlorophenyl)ethylamino]pyrimidin-4-yl]piperazin-1-yl]-N-[(3,5-dichloropyridin-4-yl)methyl]-N-(3-morpholin-4-ylpropyl)acetamide
Molecular weight662.057
Hydrogen bond acceptor9
Hydrogen bond donor1
XlogP4.6
SynonymsBDBM50340753
2-(4-(2-(4-chlorophenethylamino)pyrimidin-4-yl)piperazin-1-yl)-N-((3,5-dichloropyridin-4-yl)methyl)-N-(3-morpholinopropyl)acetamide
Inchi KeyAHWHUDJTTAKVFD-UHFFFAOYSA-N
Inchi IDInChI=1S/C31H39Cl3N8O2/c32-25-4-2-24(3-5-25)6-8-36-31-37-9-7-29(38-31)41-14-12-40(13-15-41)23-30(43)42(11-1-10-39-16-18-44-19-17-39)22-26-27(33)20-35-21-28(26)34/h2-5,7,9,20-21H,1,6,8,10-19,22-23H2,(H,36,37,38)
PubChem CID54580026
ChEMBLCHEMBL1762707
IUPHARN/A
BindingDB50340753
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
5936Mas-related G-protein coupled receptor member X1Q96LB2MRGPRX1Homo sapiens (Human)322

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