PHT-427   Click here for help

GtoPdb Ligand ID: 8009

Synonyms: PHT 427 | PHT427
Compound class: Synthetic organic
Comment: PHT-427 is a novel dual inhibitor of 3-phosphoinositide dependent protein kinase 1 (PDK1) and Akt (protein kinase B) [3]. The original identification of PHT-427 (compound 14) as an Akt inhibitor is described in [1] where it is shown to bind to the pleckstrin homology (PH) domain of Akt, not to the catalytic ATP binding site. PDK1 activates Akt by phosphorylating Thr308 in Akt's kinase domain.
The PDK1/Akt signaling pathway plays a key role in cancer cell growth, survival, and tumour angiogenesis and represents a promising target for oncology therapeutics [2,4].
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2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 5
Hydrogen bond donors 1
Rotatable bonds 14
Topological polar surface area 108.57
Molecular weight 409.19
XLogP 8.96
No. Lipinski's rules broken 2
SMILES / InChI / InChIKey
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Canonical SMILES CCCCCCCCCCCCc1ccc(cc1)S(=O)(=O)Nc1nncs1
Isomeric SMILES CCCCCCCCCCCCc1ccc(cc1)S(=O)(=O)Nc1nncs1
InChI InChI=1S/C20H31N3O2S2/c1-2-3-4-5-6-7-8-9-10-11-12-18-13-15-19(16-14-18)27(24,25)23-20-22-21-17-26-20/h13-17H,2-12H2,1H3,(H,22,23)
InChI Key BYWWNRBKPCPJMG-UHFFFAOYSA-N
Classification Click here for help
Compound class Synthetic organic
IUPAC Name Click here for help
4-dodecyl-N-(1,3,4-thiadiazol-2-yl)benzenesulfonamide
Synonyms Click here for help
PHT 427 | PHT427
Database Links Click here for help
CAS Registry No. 1191951-57-1
ChEMBL Ligand CHEMBL595583
GtoPdb PubChem SID 249565689
PubChem CID 44240850
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Tocris
PHT 427
Cat. No. 4598