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Ligand

NameCHEMBL316885
Molecular formulaC20H20ClNO4
IUPAC nameN-[(3S,4S)-6-acetyl-3-hydroxy-2,2-dimethyl-3,4-dihydrochromen-4-yl]-2-chlorobenzamide
Molecular weight373.833
Hydrogen bond acceptor4
Hydrogen bond donor2
XlogP2.8
SynonymsBDBM50217183
SCHEMBL3300880
Inchi KeyKMBXNPJEKNKOQQ-ROUUACIJSA-N
Inchi IDInChI=1S/C20H20ClNO4/c1-11(23)12-8-9-16-14(10-12)17(18(24)20(2,3)26-16)22-19(25)13-6-4-5-7-15(13)21/h4-10,17-18,24H,1-3H3,(H,22,25)/t17-,18-/m0/s1
PubChem CID44330218
ChEMBLCHEMBL316885
IUPHARN/A
BindingDB50217183
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
1725185-hydroxytryptamine receptor 1DQ61224Htr1dMus musculus (Mouse)374
1725195-hydroxytryptamine receptor 1DP28565Htr1dRattus norvegicus (Rat)374

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