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Ligand

NameAC1MK6ZI
Molecular formulaC18H17N3O6S
IUPAC name3-(3,4-dimethoxyphenyl)-N-[(2-hydroxy-5-nitrophenyl)carbamothioyl]prop-2-enamide
Molecular weight403.409
Hydrogen bond acceptor7
Hydrogen bond donor3
XlogP3.2
Synonyms3-(3,4-dimethoxyphenyl)-N-[(2-hydroxy-5-nitrophenyl)carbamothioyl]prop-2-enamide
Inchi KeyCCNCWUDUWLWPSO-UHFFFAOYSA-N
Inchi IDInChI=1S/C18H17N3O6S/c1-26-15-7-3-11(9-16(15)27-2)4-8-17(23)20-18(28)19-13-10-12(21(24)25)5-6-14(13)22/h3-10,22H,1-2H3,(H2,19,20,23,28)
PubChem CID3152090
ChEMBLN/A
IUPHARN/A
BindingDB50392
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
38757Apelin receptorP35414APLNRHomo sapiens (Human)380

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