RILAPLADIB

Search structure
Synonyms:
Status: Phase 2
Entry Type: Small molecule
Molecule Category: UNKNOWN
UNII: O14CWE893Z

Structure
InChI Key NNBGCSGCRSCFEA-UHFFFAOYSA-N
Smile COCCN1CCC(N(Cc2ccc(-c3ccc(C(F)(F)F)cc3)cc2)C(=O)Cn2c(SCc3cccc(F)c3F)cc(=O)c3ccccc32)CC1
InChI
InChI=1S/C40H38F5N3O3S/c1-51-22-21-46-19-17-32(18-20-46)47(24-27-9-11-28(12-10-27)29-13-15-31(16-14-29)40(43,44)45)37(50)25-48-35-8-3-2-6-33(35)36(49)23-38(48)52-26-30-5-4-7-34(41)39(30)42/h2-16,23,32H,17-22,24-26H2,1H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C40H38F5N3O3S
Molecular Weight 735.82
AlogP 8.4
Hydrogen Bond Acceptor 6.0
Hydrogen Bond Donor 0.0
Number of Rotational Bond 12.0
Polar Surface Area 54.78
Molecular species NEUTRAL
Aromatic Rings 5.0
Heavy Atoms 52.0

Pharmacology

Action Mechanism of Action Reference
INHIBITOR LDL-associated phospholipase A2 inhibitor PubMed PubMed
Primary Target
PLA2-G7
Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Enzyme Hydrolase
- 0 - - -

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Alzheimer Disease 2 D000544 ClinicalTrials
Atherosclerosis 2 D050197 ClinicalTrials

Related Entries

Scaffolds

Cross References

Resources Reference
CAS NUMBER 412950-08-4
ChEMBL CHEMBL2104981
DrugBank DB05119
EPA CompTox DTXSID50194281
FDA SRS O14CWE893Z
Guide to Pharmacology 7376
PubChem 9918381
SureChEMBL SCHEMBL2801812
ZINC ZINC000003973276
CONTENTS