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Ligand

NameCHEMBL1762696
Molecular formulaC20H22ClN5O2S
IUPAC name4-[2-[[2-[2-(4-chlorophenyl)ethylamino]pyrimidin-4-yl]amino]ethyl]benzenesulfonamide
Molecular weight431.939
Hydrogen bond acceptor7
Hydrogen bond donor3
XlogP3.9
SynonymsBDBM50340741
4-(2-(2-(4-chlorophenethylamino)pyrimidin-4-ylamino)ethyl)benzenesulfonamide
Inchi KeyUBWIYHMTQBCTLZ-UHFFFAOYSA-N
Inchi IDInChI=1S/C20H22ClN5O2S/c21-17-5-1-15(2-6-17)10-13-24-20-25-14-11-19(26-20)23-12-9-16-3-7-18(8-4-16)29(22,27)28/h1-8,11,14H,9-10,12-13H2,(H2,22,27,28)(H2,23,24,25,26)
PubChem CID54584004
ChEMBLCHEMBL1762696
IUPHARN/A
BindingDB50340741
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand satisfies Lipinski's rule of five.

Known GPCRs

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Total entries: 1
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GLASS IDNameUniProtGeneSpeciesLength
333016Mas-related G-protein coupled receptor member X1Q96LB2MRGPRX1Homo sapiens (Human)322

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