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Ligand

NameCHEMBL1784080
Molecular formulaC21H18N4OS
IUPAC name13-(2-methylbut-3-yn-2-ylamino)-5-(4-methylphenyl)-8-thia-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(13),2(7),3,9,11-pentaen-6-one
Molecular weight374.462
Hydrogen bond acceptor5
Hydrogen bond donor1
XlogP4.1
Synonyms9-(1,1-Dimethyl-prop-2-ynylamino)-3-p-tolyl-3H-pyrido[3'',2'':4,5]thieno[3,2-d]pyrimidin-4-one
BDBM50345969
SCHEMBL8244577
Inchi KeyCFHPFTHTFUZXBT-UHFFFAOYSA-N
Inchi IDInChI=1S/C21H18N4OS/c1-5-21(3,4)24-15-10-11-22-19-16(15)17-18(27-19)20(26)25(12-23-17)14-8-6-13(2)7-9-14/h1,6-12H,2-4H3,(H,22,24)
PubChem CID54582947
ChEMBLCHEMBL1784080
IUPHARN/A
BindingDB50345969
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
40653Metabotropic glutamate receptor 1Q13255GRM1Homo sapiens (Human)1194

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