TAS-117

Search structure
Synonyms:
Status: Phase 2
Entry Type: Small molecule
Molecule Category: UNKNOWN
UNII: QI52W1ZIIB

Structure
InChI Key AIFGVDXMHWGOGJ-DIVCQZSQSA-N
Smile 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

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

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Neoplasms 2 D009369 ClinicalTrials

Related Entries

Scaffolds

Cross References

Resources Reference
CAS NUMBER 1402602-94-1
ChEMBL CHEMBL4297329
DrugBank DB15054
FDA SRS QI52W1ZIIB
SureChEMBL SCHEMBL17473607
CONTENTS