JNJ-41443532

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Synonyms
Status
Molecule Category Free-form
UNII 0OJB0LES1A

Structure

InChI Key CFKBNYUHQSQBSX-CYWCHRQTSA-N
Smiles O=C(CNC(=O)c1cccc(C(F)(F)F)c1)NC1CN([C@H]2CC[C@@](O)(c3cncs3)CC2)C1
InChI
InChI=1S/C22H25F3N4O3S/c23-22(24,25)15-3-1-2-14(8-15)20(31)27-10-19(30)28-16-11-29(12-16)17-4-6-21(32,7-5-17)18-9-26-13-33-18/h1-3,8-9,13,16-17,32H,4-7,10-12H2,(H,27,31)(H,28,30)/t17-,21-

Physicochemical Descriptors

Property Name Value
Molecular Formula C22H25F3N4O3S
Molecular Weight 482.53
AlogP 2.52
Hydrogen Bond Acceptor 6.0
Hydrogen Bond Donor 3.0
Number of Rotational Bond 6.0
Polar Surface Area 94.56
Molecular species NEUTRAL
Aromatic Rings 2.0
Heavy Atoms 33.0

Pharmacology

Mechanism of Action Action Reference
C-C chemokine receptor type 2 antagonist ANTAGONIST PubMed
Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Ion channel Voltage-gated ion channel Potassium channels Voltage-gated potassium channel
- - - - 21
Membrane receptor Family A G protein-coupled receptor Peptide receptor (family A GPCR) Chemokine receptor CC chemokine receptor
- 30-37 - - -
EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Homo sapiens
- 30-37 - - 21
Mus musculus
- - - - 89

Target Conservation

Protein: C-C chemokine receptor type 2
Description: C-C chemokine receptor type 2
Organism : Homo sapiens
P41597 ENSG00000121807

Cross References

Resources Reference
ChEMBL CHEMBL2204263
DrugBank DB12632
FDA SRS 0OJB0LES1A
PubChem 46208367
SureChEMBL SCHEMBL2545786
ZINC ZINC000141611914
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