PRADIGASTAT

/static/temp/default.svg Search structure
Synonyms
Status
Molecule Category Free-form
UNII 2U23G6VNUZ

Structure

InChI Key GXALXAKNHIROPE-QAQDUYKDSA-N
Smiles 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

Mechanism of Action Action Reference
Diacylglycerol O-acyltransferase 1 inhibitor INHIBITOR PubMed PubMed
Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Enzyme Transferase
71 55 - - -
EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Homo sapiens
- 55 - - 40
Mus musculus
71 - - - -
Rattus norvegicus
- - - - 50

Target Conservation

Protein: Diacylglycerol O-acyltransferase 1
Description: Diacylglycerol O-acyltransferase 1
Organism : Homo sapiens
O75907 ENSG00000185000

Cross References

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