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Ligand

Name9-(4-chlorophenyl)-1,7-dimethyl-1,3,5-trihydro-6H,7H,8H-1,3-diazaperhydroino[1 ,2-h]purine-2,4-dione
Molecular formulaC16H16ClN5O2
IUPAC name9-(4-chlorophenyl)-1,7-dimethyl-7,8-dihydro-6H-purino[7,8-a]pyrimidine-2,4-dione
Molecular weight345.787
Hydrogen bond acceptor4
Hydrogen bond donor1
XlogP2.5
SynonymsAC1MWHNT
MLS001214922
CHEMBL1886742
MolPort-000-756-630
MolPort-002-631-471
[ Show all ]
Inchi KeyAAKDMZQFSPTWBO-UHFFFAOYSA-N
Inchi IDInChI=1S/C16H16ClN5O2/c1-9-7-21(11-5-3-10(17)4-6-11)15-18-13-12(22(15)8-9)14(23)19-16(24)20(13)2/h3-6,9H,7-8H2,1-2H3,(H,19,23,24)
PubChem CID3749379
ChEMBLCHEMBL1886742
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: 1
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GLASS IDNameUniProtGeneSpeciesLength
462996Parathyroid hormone/parathyroid hormone-related peptide receptorQ03431PTH1RHomo sapiens (Human)593

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