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Ligand

NameSMR000131154
Molecular formulaC18H23N3O4S
IUPAC nameN-(3-methoxypropyl)-4-oxo-3-(oxolan-2-ylmethyl)-2-sulfanylidene-1H-quinazoline-7-carboxamide
Molecular weight377.459
Hydrogen bond acceptor5
Hydrogen bond donor2
XlogP1.1
SynonymsMCULE-4001186677
AKOS002085907
N-(3-methoxypropyl)-4-oxo-3-(oxolan-2-ylmethyl)-2-sulfanylidene-1H-quinazoline-7-carboxamide
CHEMBL1505600
SR-01000557486
[ Show all ]
Inchi KeyAFGCTQNGZJQBNM-UHFFFAOYSA-N
Inchi IDInChI=1S/C18H23N3O4S/c1-24-8-3-7-19-16(22)12-5-6-14-15(10-12)20-18(26)21(17(14)23)11-13-4-2-9-25-13/h5-6,10,13H,2-4,7-9,11H2,1H3,(H,19,22)(H,20,26)
PubChem CID4142546
ChEMBLCHEMBL1505600
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
463387Parathyroid hormone/parathyroid hormone-related peptide receptorQ03431PTH1RHomo sapiens (Human)593

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