A-674563   

GtoPdb Ligand ID: 5655

Synonyms: A 674563 | A674563
Compound class: Synthetic organic
Comment: A-674563 is an inhibitor of the protein kinase B family member, AKT1 [2].
2D Structure
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Physico-chemical Properties
Hydrogen bond acceptors 3
Hydrogen bond donors 2
Rotatable bonds 6
Topological polar surface area 76.82
Molecular weight 358.18
XLogP 4.06
No. Lipinski's rules broken 0
SMILES / InChI / InChIKey
Canonical SMILES NC(Cc1ccccc1)COc1cncc(c1)c1ccc2c(c1)c(C)n[nH]2
Isomeric SMILES N[C@@H](Cc1ccccc1)COc1cncc(c1)c1ccc2c(c1)c(C)n[nH]2
InChI InChI=1S/C22H22N4O/c1-15-21-11-17(7-8-22(21)26-25-15)18-10-20(13-24-12-18)27-14-19(23)9-16-5-3-2-4-6-16/h2-8,10-13,19H,9,14,23H2,1H3,(H,25,26)/t19-/m0/s1
InChI Key BPNUQXPIQBZCMR-IBGZPJMESA-N
Classification
Compound class Synthetic organic
IUPAC Name
5-{5-[(2S)-2-amino-3-phenylpropoxy]pyridin-3-yl}-3-methyl-1H-indazole
Synonyms
A 674563 | A674563
Comments
A-674563 is an inhibitor of the protein kinase B family member, AKT1 [2].
Database Links
CAS Registry No. 552325-73-2
ChEMBL Ligand CHEMBL379218
GtoPdb PubChem SID 178102283
PubChem CID 11314340
RCSB PDB Ligand SS3
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