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Ligand

NameCHEMBL3941566
Molecular formulaC18H21ClFN3O2S
IUPAC name4-[(4-chloro-2-fluorophenyl)methylidene]-1-(1,3,5-trimethylpyrazol-4-yl)sulfonylpiperidine
Molecular weight397.893
Hydrogen bond acceptor5
Hydrogen bond donor0
XlogP3.2
SynonymsBPOFQMPOUZNIFN-UHFFFAOYSA-N
SCHEMBL16324005
4-(4-Chloro-2-fluorobenzylidene)-1-((1,3,5-trimethyl-1H-pyrazol-4-yl) sulfonyl)piperidine
Inchi KeyBPOFQMPOUZNIFN-UHFFFAOYSA-N
Inchi IDInChI=1S/C18H21ClFN3O2S/c1-12-18(13(2)22(3)21-12)26(24,25)23-8-6-14(7-9-23)10-15-4-5-16(19)11-17(15)20/h4-5,10-11H,6-9H2,1-3H3
PubChem CID86580704
ChEMBLCHEMBL3941566
IUPHARN/A
BindingDBN/A
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
536742Prokineticin receptor 1Q8TCW9PROKR1Homo sapiens (Human)393

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