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Ligand

NameCHEMBL440405
Molecular formulaC20H18FN3O3S
IUPAC name4-[5-cyano-2-(4-fluorophenyl)-1H-indol-3-yl]-N-methylsulfonylbutanamide
Molecular weight399.44
Hydrogen bond acceptor5
Hydrogen bond donor2
XlogP3.0
SynonymsBDBM50236305
4-(5-cyano-2-(4-fluorophenyl)-1H-indol-3-yl)-N-(methylsulfonyl)butanamide
Inchi KeyOVTPSSRHMPJRCX-UHFFFAOYSA-N
Inchi IDInChI=1S/C20H18FN3O3S/c1-28(26,27)24-19(25)4-2-3-16-17-11-13(12-22)5-10-18(17)23-20(16)14-6-8-15(21)9-7-14/h5-11,23H,2-4H2,1H3,(H,24,25)
PubChem CID44447915
ChEMBLCHEMBL440405
IUPHARN/A
BindingDB50236305
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
251489C-X-C chemokine receptor type 2P25025CXCR2Homo sapiens (Human)360
251490C-X-C chemokine receptor type 2P35344CXCR2Oryctolagus cuniculus (Rabbit)358

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