JNJ-17166864

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Synonyms
Status
Molecule Category Mixture
UNII VF9KM790TY

Structure

InChI Key BXCVNDLGUWFNBK-UHFFFAOYSA-O
Smiles C[N+](C)(Cc1ccc(NC(=O)c2ccc(Cl)c(Cl)c2)cc1)C1CCOCC1
InChI
InChI=1S/C21H24Cl2N2O2/c1-25(2,18-9-11-27-12-10-18)14-15-3-6-17(7-4-15)24-21(26)16-5-8-19(22)20(23)13-16/h3-8,13,18H,9-12,14H2,1-2H3/p+1

Physicochemical Descriptors

Property Name Value
Molecular Formula C21H25Cl2N2O2+
Molecular Weight 408.35
AlogP 5.0
Hydrogen Bond Acceptor 2.0
Hydrogen Bond Donor 1.0
Number of Rotational Bond 5.0
Polar Surface Area 38.33
Molecular species NEUTRAL
Aromatic Rings 2.0
Heavy Atoms 27.0

Pharmacology

Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Membrane receptor Family A G protein-coupled receptor Peptide receptor (family A GPCR) Chemokine receptor CC chemokine receptor
- 20-100 - - -
EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Homo sapiens
- 100-100 - - -
Mus musculus
- - - - 79-95

Cross References

Resources Reference
ChEMBL CHEMBL4297292
FDA SRS VF9KM790TY
PubChem 11619164
SureChEMBL SCHEMBL313326
ChEMBL CHEMBL397647
FDA SRS 2BOD5IUD08
PubChem 11619164
SureChEMBL SCHEMBL2739842
ZINC ZINC000034804438
CONTENTS