A-443654

Ligand id: 8204

Name: A-443654

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 5
Hydrogen bond donors 3
Rotatable bonds 6
Topological polar surface area 92.61
Molecular weight 397.19
XLogP 4.21
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
IUPAC Name
(2S)-1-(1H-indol-3-yl)-3-[5-(3-methyl-2H-indazol-5-yl)pyridin-3-yl]oxypropan-2-amine
Synonyms
A 443654 | A443654
Database Links
CAS Registry No. 552325-16-3
ChEMBL Ligand CHEMBL379300
DrugBank Ligand DB08073
PubChem CID 10172943
RCSB PDB Ligand L20
Search Google for chemical match using the InChIKey YWTBGJGMTBHQTM-IBGZPJMESA-N
Search Google for chemicals with the same backbone YWTBGJGMTBHQTM
Search UniChem for chemical match using the InChIKey YWTBGJGMTBHQTM-IBGZPJMESA-N
Search UniChem for chemicals with the same backbone YWTBGJGMTBHQTM
Comments
A-443654 is an ATP-competitive inhibitor of all three Akt (protein kinase B) subtypes [2], but causes paradixical hyperphosphorylation of two regulatory amino acid residues (Thr308 and Ser473) of the Akt protein [1,3]. A-443654 exhibits modest selectivity for Akt, compared to other AGC family kinases, such as PKA and PKC [2].