BMS-813160

Search structure


Synonyms:	BMS 813160
Status:	Phase 2
Entry Type:	Small molecule
Molecule Category:	UNKNOWN
UNII:	83U7957287

Structure


InChI Key	CMVHFGNTABZQJU-HCXYKTFWSA-N
Smile	CC(=O)N[C@@H]1C[C@H](NC(C)(C)C)CC[C@@H]1N1CC[C@H](Nc2ncnc3cc(C(C)(C)C)nn23)C1=O
InChI	InChI=1S/C25H40N8O2/c1-15(34)28-18-12-16(30-25(5,6)7)8-9-19(18)32-11-10-17(22(32)35)29-23-27-14-26-21-13-20(24(2,3)4)31-33(21)23/h13-14,16-19,30H,8-12H2,1-7H3,(H,28,34)(H,26,27,29)/t16-,17+,18-,19+/m1/s1

Physicochemical Descriptors

Property Name	Value
Molecular Formula	C25H40N8O2
Molecular Weight	484.65
AlogP	2.25
Hydrogen Bond Acceptor	8.0
Hydrogen Bond Donor	3.0
Number of Rotational Bond	5.0
Polar Surface Area	116.55
Molecular species	BASE
Aromatic Rings	2.0
Heavy Atoms	35.0

Pharmacology

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

Targets	EC50(nM)	IC50(nM)	Kd(nM)	Ki(nM)	Inhibition(%)
Ion channel Voltage-gated ion channel Potassium channels Voltage-gated potassium channel	-	-	-	-	9
Membrane receptor Family A G protein-coupled receptor Peptide receptor (family A GPCR) Chemokine receptor CC chemokine receptor	-	0.8-6.2	-	-	-

Indications

Mesh Heading	Maximum Phase	Mesh ID	Reference
Diabetic Nephropathies	2	D003928	ClinicalTrials
Neoplasms	2	D009369	ClinicalTrials
Hyperplasia	1	D006965	ClinicalTrials
Carcinoma, Pancreatic Ductal	1	D021441	ClinicalTrials

Cross References

Resources	Reference
ChEMBL	CHEMBL4594419
FDA SRS	83U7957287
PubChem	51039119
SureChEMBL	SCHEMBL1554224

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