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Ligand

NameMLS000570530
Molecular formulaC18H15BrN2O4
IUPAC name(Z)-3-(3-bromo-5-ethoxy-4-hydroxyphenyl)-2-cyano-N-(4-hydroxyphenyl)prop-2-enamide
Molecular weight403.232
Hydrogen bond acceptor5
Hydrogen bond donor3
XlogP4.0
Synonyms(Z)-3-(3-bromo-5-ethoxy-4-hydroxyphenyl)-2-cyano-N-(4-hydroxyphenyl)prop-2-enamide
BDBM39789
SR-01000218400
cid_1271399
ZINC13482118
[ Show all ]
Inchi KeyHMRRSRJGYODNQI-GHXNOFRVSA-N
Inchi IDInChI=1S/C18H15BrN2O4/c1-2-25-16-9-11(8-15(19)17(16)23)7-12(10-20)18(24)21-13-3-5-14(22)6-4-13/h3-9,22-23H,2H2,1H3,(H,21,24)/b12-7-
PubChem CID1271399
ChEMBLCHEMBL1460225
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
118878Thyrotropin-releasing hormone receptorP34981TRHRHomo sapiens (Human)398

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