AR-12

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Synonyms
Status
Molecule Category Free-form
UNII EX3O2Q61UV
EPA CompTox DTXSID50225206

Structure

InChI Key YULUCECVQOCQFQ-UHFFFAOYSA-N
Smiles NCC(=O)Nc1ccc(-n2nc(C(F)(F)F)cc2-c2ccc3c(ccc4ccccc43)c2)cc1
InChI
InChI=1S/C26H19F3N4O/c27-26(28,29)24-14-23(33(32-24)20-10-8-19(9-11-20)31-25(34)15-30)18-7-12-22-17(13-18)6-5-16-3-1-2-4-21(16)22/h1-14H,15,30H2,(H,31,34)

Physicochemical Descriptors

Property Name Value
Molecular Formula C26H19F3N4O
Molecular Weight 460.46
AlogP 5.76
Hydrogen Bond Acceptor 4.0
Hydrogen Bond Donor 2.0
Number of Rotational Bond 4.0
Polar Surface Area 72.94
Molecular species NEUTRAL
Aromatic Rings 5.0
Heavy Atoms 34.0

Pharmacology

Mechanism of Action Action Reference
3-phosphoinositide dependent protein kinase-1 inhibitor INHIBITOR PubMed
EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Dengue virus 1
600 - - - -
Dengue virus 2
600 - - - -
Dengue virus 3
600 - - - -
Dengue virus 4
600 - - - -
Homo sapiens
- 300-800 - - -
Salmonella enterica subsp. enterica serovar Typhimurium
- 200 - - -

Target Conservation

Protein: 3-phosphoinositide dependent protein kinase-1
Description: 3-phosphoinositide-dependent protein kinase 1
Organism : Homo sapiens
O15530 ENSG00000140992

Cross References

Resources Reference
ChEBI 131196
ChEMBL CHEMBL1650595
FDA SRS EX3O2Q61UV
Guide to Pharmacology 8005
PDB M4J
PubChem 10027278
SureChEMBL SCHEMBL570472
ZINC ZINC000003960083
CONTENTS