TAS-117

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Synonyms
Status
Molecule Category Free-form
UNII QI52W1ZIIB

Structure

InChI Key AIFGVDXMHWGOGJ-DIVCQZSQSA-N
Smiles C[C@]1(O)C[C@@](N)(c2ccc(-c3nc4n(c3-c3ccccc3)COc3ccncc3-4)cc2)C1
InChI
InChI=1S/C26H24N4O2/c1-25(31)14-26(27,15-25)19-9-7-17(8-10-19)22-23(18-5-3-2-4-6-18)30-16-32-21-11-12-28-13-20(21)24(30)29-22/h2-13,31H,14-16,27H2,1H3/t25-,26-

Physicochemical Descriptors

Property Name Value
Molecular Formula C26H24N4O2
Molecular Weight 424.5
AlogP 4.33
Hydrogen Bond Acceptor 6.0
Hydrogen Bond Donor 2.0
Number of Rotational Bond 3.0
Polar Surface Area 86.19
Molecular species BASE
Aromatic Rings 4.0
Heavy Atoms 32.0

Pharmacology

Mechanism of Action Action Reference
Serine/threonine-protein kinase AKT negative allosteric modulator NEGATIVE ALLOSTERIC MODULATOR ClinicalTrials PubMed Other PubMed

Target Conservation

Protein: Serine/threonine-protein kinase AKT
Description: RAC-alpha serine/threonine-protein kinase
Organism : Homo sapiens
P31749 ENSG00000142208
Protein: Serine/threonine-protein kinase AKT
Description: RAC-beta serine/threonine-protein kinase
Organism : Homo sapiens
P31751 ENSG00000105221
Protein: Serine/threonine-protein kinase AKT
Description: RAC-gamma serine/threonine-protein kinase
Organism : Homo sapiens
Q9Y243 ENSG00000117020

Cross References

Resources Reference
ChEMBL CHEMBL4297329
DrugBank DB15054
FDA SRS QI52W1ZIIB
SureChEMBL SCHEMBL17473607
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