JNJ-41443532

Search structure


Synonyms:	Jnj-41443532
Status:	Phase 2
Entry Type:	Small molecule
Molecule Category:	UNKNOWN
UNII:	0OJB0LES1A

Structure


InChI Key	CFKBNYUHQSQBSX-CYWCHRQTSA-N
Smile	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

Action	Mechanism of Action	Reference
ANTAGONIST	C-C chemokine receptor type 2 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	-	9600	-

Indications

Mesh Heading	Maximum Phase	Mesh ID	Reference
Diabetes Mellitus, Type 2	2	D003924	ClinicalTrials

Cross References

Resources	Reference
CAS NUMBER	1228650-83-6
ChEMBL	CHEMBL2204263
DrugBank	DB12632
FDA SRS	0OJB0LES1A
PubChem	46208367
SureChEMBL	SCHEMBL2545786
ZINC	ZINC000141611914

CONTENTS