NIVOCASAN

Search structure
Synonyms:
Status: Phase 2
Entry Type: Small molecule
Molecule Category: UNKNOWN
UNII: 9554OW6MVU

Structure
InChI Key VYFGDLGHHBUDTQ-ZLGUVYLKSA-N
Smile CC(C)[C@@]1(C(=O)N[C@H]2CC(=O)O[C@]2(O)CF)CC(c2nccc3ccccc23)=NO1
InChI
InChI=1S/C21H22FN3O5/c1-12(2)20(19(27)24-16-9-17(26)29-21(16,28)11-22)10-15(25-30-20)18-14-6-4-3-5-13(14)7-8-23-18/h3-8,12,16,28H,9-11H2,1-2H3,(H,24,27)/t16-,20+,21+/m0/s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C21H22FN3O5
Molecular Weight 415.42
AlogP 1.84
Hydrogen Bond Acceptor 7.0
Hydrogen Bond Donor 2.0
Number of Rotational Bond 5.0
Polar Surface Area 110.11
Molecular species NEUTRAL
Aromatic Rings 2.0
Heavy Atoms 30.0

Pharmacology

Action Mechanism of Action Reference
INHIBITOR Caspase-1 inhibitor PubMed

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Non-alcoholic Fatty Liver Disease 2 D065626 ClinicalTrials
Hepatitis C 2 D006526 ClinicalTrials

Cross References

Resources Reference
ChEMBL CHEMBL2105721
DrugBank DB12720
FDA SRS 9554OW6MVU
PubChem 11633038
SureChEMBL SCHEMBL2534903
ZINC ZINC000035968991
CONTENTS