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Ligand

NameCHEMBL433377
Molecular formulaC18H19N3O4
IUPAC nameN-[(3R,4S)-6-acetyl-3-hydroxy-2,2-dimethyl-3,4-dihydrochromen-4-yl]pyrazine-2-carboxamide
Molecular weight341.367
Hydrogen bond acceptor6
Hydrogen bond donor2
XlogP0.4
SynonymsBDBM50217184
Inchi KeyKLVRLMUZFVRPQR-JKSUJKDBSA-N
Inchi IDInChI=1S/C18H19N3O4/c1-10(22)11-4-5-14-12(8-11)15(16(23)18(2,3)25-14)21-17(24)13-9-19-6-7-20-13/h4-9,15-16,23H,1-3H3,(H,21,24)/t15-,16+/m0/s1
PubChem CID44330272
ChEMBLCHEMBL433377
IUPHARN/A
BindingDB50217184
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: 2
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
1723705-hydroxytryptamine receptor 1DQ61224Htr1dMus musculus (Mouse)374
1723715-hydroxytryptamine receptor 1DP28565Htr1dRattus norvegicus (Rat)374

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