PDK1/Akt/Flt dual pathway inhibitor   Click here for help

GtoPdb Ligand ID: 6022

Synonyms: AG-L-66494 | GNF-Pf-3800
Compound class: Synthetic organic
Comment: This compound is a mixture of tautomers (KP372-1A and KP372-1B), present in almost equal amounts. Our image shows the structure of KP372-1B.
This compound has been shown to directly inhibit both PDK1 and Akt activities in in vitro kinase assays in a dose-dependent manner and block cellular phosphorylation of Akt at both Ser473 and Thr308 residues [6].
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2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 6
Hydrogen bond donors 0
Rotatable bonds 0
Topological polar surface area 85.93
Molecular weight 224.04
XLogP 1.33
No. Lipinski's rules broken 0
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Canonical SMILES O=C1c2nn3nnnc3nc2c2c1cccc2
Isomeric SMILES O=C1c2nn3nnnc3nc2c2c1cccc2
InChI InChI=1S/C10H4N6O/c17-9-6-4-2-1-3-5(6)7-8(9)13-16-10(11-7)12-14-15-16/h1-4H
Classification Click here for help
Compound class Synthetic organic
IUPAC Name Click here for help
Synonyms Click here for help
AG-L-66494 | GNF-Pf-3800
Database Links Click here for help
CAS Registry No. 331253-86-2
ChEMBL Ligand CHEMBL599894
GtoPdb PubChem SID 178102644
PubChem CID 5113385
Search Google for chemical match using the InChIKey DPANHMGWPXVBQI-UHFFFAOYSA-N
Search Google for chemicals with the same backbone DPANHMGWPXVBQI
UniChem Compound Search for chemical match using the InChIKey DPANHMGWPXVBQI-UHFFFAOYSA-N
UniChem Connectivity Search for chemical match using the InChIKey DPANHMGWPXVBQI-UHFFFAOYSA-N