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Ligand

NameCHEMBL254569
Molecular formulaC19H17FN4O3S
IUPAC name1-[2-[5-cyano-2-(4-fluorophenyl)-1H-indol-3-yl]ethyl]-3-methylsulfonylurea
Molecular weight400.428
Hydrogen bond acceptor5
Hydrogen bond donor3
XlogP2.5
Synonyms1-(2-(5-cyano-2-(4-fluorophenyl)-1H-indol-3-yl)ethyl)-3-(methylsulfonyl)urea
BDBM50236294
Inchi KeyAMPDDZBKINMTEI-UHFFFAOYSA-N
Inchi IDInChI=1S/C19H17FN4O3S/c1-28(26,27)24-19(25)22-9-8-15-16-10-12(11-21)2-7-17(16)23-18(15)13-3-5-14(20)6-4-13/h2-7,10,23H,8-9H2,1H3,(H2,22,24,25)
PubChem CID44447945
ChEMBLCHEMBL254569
IUPHARN/A
BindingDB50236294
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
9119C-X-C chemokine receptor type 2P25025CXCR2Homo sapiens (Human)360

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