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Ligand

NameCHEMBL95250
Molecular formulaC20H19Cl2NO4
IUPAC nameN-[(3R,4S)-6-acetyl-3-hydroxy-2,2-dimethyl-3,4-dihydrochromen-4-yl]-2,6-dichlorobenzamide
Molecular weight408.275
Hydrogen bond acceptor4
Hydrogen bond donor2
XlogP3.4
SynonymsSCHEMBL8338595
BDBM50217179
Inchi KeyYSYJGFABOFVTIV-ZWKOTPCHSA-N
Inchi IDInChI=1S/C20H19Cl2NO4/c1-10(24)11-7-8-15-12(9-11)17(18(25)20(2,3)27-15)23-19(26)16-13(21)5-4-6-14(16)22/h4-9,17-18,25H,1-3H3,(H,23,26)/t17-,18+/m0/s1
PubChem CID21309471
ChEMBLCHEMBL95250
IUPHARN/A
BindingDB50217179
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
4185535-hydroxytryptamine receptor 1DQ61224Htr1dMus musculus (Mouse)374
4185545-hydroxytryptamine receptor 1DP28565Htr1dRattus norvegicus (Rat)374

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