PACTIMIBE

Search structure
Synonyms:
Status: Phase 2
Entry Type: Small molecule
Molecule Category: Parent
UNII: D874R9PZ9T

Structure
InChI Key TXIIZHHIOHVWJD-UHFFFAOYSA-N
Smile CCCCCCCCN1CCc2c(C)c(CC(=O)O)c(C)c(NC(=O)C(C)(C)C)c21
InChI
InChI=1S/C25H40N2O3/c1-7-8-9-10-11-12-14-27-15-13-19-17(2)20(16-21(28)29)18(3)22(23(19)27)26-24(30)25(4,5)6/h7-16H2,1-6H3,(H,26,30)(H,28,29)

Physicochemical Descriptors

Property Name Value
Molecular Formula C25H40N2O3
Molecular Weight 416.61
AlogP 5.64
Hydrogen Bond Acceptor 3.0
Hydrogen Bond Donor 2.0
Number of Rotational Bond 10.0
Polar Surface Area 69.64
Molecular species ACID
Aromatic Rings 1.0
Heavy Atoms 30.0

Pharmacology

Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Enzyme Transferase
- 300-4900 - - -
Enzyme
- 690-15900 - - -

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Coronary Disease 2 D003327 ClinicalTrials
Atherosclerosis 2 D050197 ClinicalTrials

Related Entries

Salt

Cross References

Resources Reference
CAS NUMBER 189198-30-9
ChEMBL CHEMBL478858
DrugBank DB12971
EPA CompTox DTXSID80172315
FDA SRS D874R9PZ9T
PharmGKB PA165949675
PubChem 3081927
SureChEMBL SCHEMBL282098
ZINC ZINC000001545445
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