BMS-813160

Search structure
Synonyms:
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 Other PubMed PubMed

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Neoplasms 2 D009369 ClinicalTrials
Diabetic Nephropathies 2 D003928 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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