BMS-817399

Search structure


Synonyms:	Bms-817399
Status:	Phase 2
Entry Type:	Small molecule
Molecule Category:	UNKNOWN
UNII:	AKQ3X6FEH0

Structure


InChI Key	GTDPZONCGOCXOD-JPYJTQIMSA-N
Smile	CC(C)[C@@H](NC(=O)NCC(C)(C)O)C(=O)N1CC[C@](O)(c2ccc(Cl)cc2)C(C)(C)C1
InChI	InChI=1S/C23H36ClN3O4/c1-15(2)18(26-20(29)25-13-22(5,6)30)19(28)27-12-11-23(31,21(3,4)14-27)16-7-9-17(24)10-8-16/h7-10,15,18,30-31H,11-14H2,1-6H3,(H2,25,26,29)/t18-,23+/m1/s1

Physicochemical Descriptors

Property Name	Value
Molecular Formula	C23H36ClN3O4
Molecular Weight	454.01
AlogP	2.88
Hydrogen Bond Acceptor	4.0
Hydrogen Bond Donor	4.0
Number of Rotational Bond	6.0
Polar Surface Area	101.9
Molecular species	NEUTRAL
Aromatic Rings	1.0
Heavy Atoms	31.0

Pharmacology

Action	Mechanism of Action	Reference
ANTAGONIST	C-C chemokine receptor type 1 antagonist	PubMed Other

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	-	1-42	-	-	-

Indications

Mesh Heading	Maximum Phase	Mesh ID	Reference
Arthritis, Rheumatoid	2	D001172	ClinicalTrials

Cross References

Resources	Reference
CAS NUMBER	1202400-18-7
ChEMBL	CHEMBL3334824
DrugBank	DB14941
FDA SRS	AKQ3X6FEH0
Guide to Pharmacology	9497
PubChem	44537841
SureChEMBL	SCHEMBL1604247

CONTENTS