PRADIGASTAT

Search structure
Synonyms:
Status: Phase 3
Entry Type: Small molecule
Molecule Category: UNKNOWN
UNII: 2U23G6VNUZ

Structure
InChI Key GXALXAKNHIROPE-QAQDUYKDSA-N
Smile O=C(O)C[C@H]1CC[C@H](c2ccc(-c3ccc(Nc4ccc(C(F)(F)F)nc4)cn3)cc2)CC1
InChI
InChI=1S/C25H24F3N3O2/c26-25(27,28)23-12-10-21(15-30-23)31-20-9-11-22(29-14-20)19-7-5-18(6-8-19)17-3-1-16(2-4-17)13-24(32)33/h5-12,14-17,31H,1-4,13H2,(H,32,33)/t16-,17-

Physicochemical Descriptors

Property Name Value
Molecular Formula C25H24F3N3O2
Molecular Weight 455.48
AlogP 6.65
Hydrogen Bond Acceptor 4.0
Hydrogen Bond Donor 2.0
Number of Rotational Bond 6.0
Polar Surface Area 75.11
Molecular species ACID
Aromatic Rings 3.0
Heavy Atoms 33.0

Pharmacology

Action Mechanism of Action Reference
INHIBITOR Diacylglycerol O-acyltransferase 1 inhibitor PubMed PubMed
Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Enzyme Transferase
71 55 - - -

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Non-alcoholic Fatty Liver Disease 2 D065626 ClinicalTrials
Hepatitis C 2 D006526 ClinicalTrials
Constipation 2 D003248 ClinicalTrials
Liver Diseases 1 D008107 ClinicalTrials
Kidney Diseases 1 D007674 ClinicalTrials
Hyperlipoproteinemias 1 D006951 ClinicalTrials

Related Entries

Scaffolds

Cross References

Resources Reference
ChEMBL CHEMBL2364624
DrugBank DB12866
FDA SRS 2U23G6VNUZ
Guide to Pharmacology 7830
PubChem 53387035
SureChEMBL SCHEMBL1289309
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