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Ligand

NameMLS000730737
Molecular formulaC19H16FN5O3S2
IUPAC name(6Z)-6-[[1-(4-fluorophenyl)-2,5-dimethylpyrrol-3-yl]methylidene]-5-imino-3-methylsulfonyl-[1,2,4]thiadiazolo[4,5-a]pyrimidin-7-one
Molecular weight445.487
Hydrogen bond acceptor7
Hydrogen bond donor1
XlogP2.8
SynonymsHMS2588K16
(6Z)-6-[[1-(4-fluorophenyl)-2,5-dimethylpyrrol-3-yl]methylidene]-5-imino-3-methylsulfonyl-[1,2,4]thiadiazolo[4,5-a]pyrimidin-7-one
SMR000309112
AKOS001803174
CHEMBL1482053
[ Show all ]
Inchi KeyAATSFXAHBUYHMF-IAYHVCARSA-N
Inchi IDInChI=1S/C19H16FN5O3S2/c1-10-8-12(11(2)24(10)14-6-4-13(20)5-7-14)9-15-16(21)25-18(22-17(15)26)29-23-19(25)30(3,27)28/h4-9,21H,1-3H3/b15-9-,21-16?
PubChem CID16194228
ChEMBLCHEMBL1482053
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
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
463015Parathyroid hormone/parathyroid hormone-related peptide receptorQ03431PTH1RHomo sapiens (Human)593

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