BMS-962212

Search structure
Synonyms:
Status: Phase 1
Entry Type: Small molecule
Molecule Category: UNKNOWN
UNII: VWJ4VVZ3OU

Structure
InChI Key WYFCZWSWFGJODV-MIANJLSGSA-N
Smile CN1CCN(c2cccc3c2CCN(C(=O)/C=C/c2c(-n4cnnn4)ccc(Cl)c2F)[C@@H]3C(=O)Nc2ccc(C(=O)O)cc2)C(=O)C1
InChI
InChI=1S/C32H28ClFN8O5/c1-39-15-16-40(28(44)17-39)25-4-2-3-22-21(25)13-14-41(30(22)31(45)36-20-7-5-19(6-8-20)32(46)47)27(43)12-9-23-26(42-18-35-37-38-42)11-10-24(33)29(23)34/h2-12,18,30H,13-17H2,1H3,(H,36,45)(H,46,47)/b12-9+/t30-/m0/s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C32H28ClFN8O5
Molecular Weight 659.08
AlogP 3.21
Hydrogen Bond Acceptor 9.0
Hydrogen Bond Donor 2.0
Number of Rotational Bond 7.0
Polar Surface Area 153.86
Molecular species ACID
Aromatic Rings 4.0
Heavy Atoms 47.0

Pharmacology

Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Enzyme Protease Serine protease Serine protease PA clan Serine protease S1A subfamily
- - - 1 -

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Thrombosis 1 D013927 ClinicalTrials

Related Entries

Scaffolds

Cross References

Resources Reference
ChEMBL CHEMBL4073292
FDA SRS VWJ4VVZ3OU
Guide to Pharmacology 9884
PubChem 71548883
SureChEMBL SCHEMBL14873796
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