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Ligand

NameSMR000013800
Molecular formulaC18H20ClN5O2
IUPAC name7-[(E)-3-chlorobut-2-enyl]-1,3-dimethyl-8-(4-methylanilino)purine-2,6-dione
Molecular weight373.841
Hydrogen bond acceptor4
Hydrogen bond donor1
XlogP3.2
Synonyms7-((E)-3-Chloro-but-2-enyl)-1,3-dimethyl-8-p-tolylamino-3,7-dihydro-purine-2,6-dione
AC1LLII9
MLS000034589
MLS002539228
CHEMBL1458647
[ Show all ]
Inchi KeyAGPXDKZLKIFABY-FMIVXFBMSA-N
Inchi IDInChI=1S/C18H20ClN5O2/c1-11-5-7-13(8-6-11)20-17-21-15-14(24(17)10-9-12(2)19)16(25)23(4)18(26)22(15)3/h5-9H,10H2,1-4H3,(H,20,21)/b12-9+
PubChem CID1084957
ChEMBLCHEMBL1458647
IUPHARN/A
BindingDBN/A
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: 2
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
5110Glucagon-like peptide 1 receptorP43220GLP1RHomo sapiens (Human)463
5111Thyrotropin receptorP16473TSHRHomo sapiens (Human)764

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