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Ligand

NameCHEMBL3126705
Molecular formulaC23H20Cl2N2O4S
IUPAC name2-chloro-5-[(2-chloro-4-methylsulfonylbenzoyl)amino]-N-(2,3-dimethylphenyl)benzamide
Molecular weight491.383
Hydrogen bond acceptor4
Hydrogen bond donor2
XlogP4.8
SynonymsBDBM50449054
ZINC103246653
Inchi KeyAEBVEQJVBUJBDW-UHFFFAOYSA-N
Inchi IDInChI=1S/C23H20Cl2N2O4S/c1-13-5-4-6-21(14(13)2)27-23(29)18-11-15(7-10-19(18)24)26-22(28)17-9-8-16(12-20(17)25)32(3,30)31/h4-12H,1-3H3,(H,26,28)(H,27,29)
PubChem CID76318208
ChEMBLCHEMBL3126705
IUPHARN/A
BindingDB50449054
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
3320Smoothened homologQ99835SMOHomo sapiens (Human)787

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