STO609   Click here for help

GtoPdb Ligand ID: 5274

Synonyms: STO 609 | STO-609
PDB Ligand
Compound class: Synthetic organic
Comment: STO609 is a selective and cell-permeable inhibitor of the Ca(2+)/calmodulin-dependent protein kinase kinases CaMKK1 and CaMKK2 [3]. The compound has been assessed in preclinical studies.
Click here for help
2D Structure
Click here for help
Click here for structure editor
Physico-chemical Properties
Click here for help
Hydrogen bond acceptors 4
Hydrogen bond donors 1
Rotatable bonds 1
Topological polar surface area 71.67
Molecular weight 314.07
XLogP 3.94
No. Lipinski's rules broken 0
SMILES / InChI / InChIKey
Click here for help
Canonical SMILES OC(=O)c1ccc2c3c1cccc3c(=O)n1c2nc2c1cccc2
Isomeric SMILES OC(=O)c1ccc2c3c1cccc3c(=O)n1c2nc2c1cccc2
InChI InChI=1S/C19H10N2O3/c22-18-13-5-3-4-10-11(19(23)24)8-9-12(16(10)13)17-20-14-6-1-2-7-15(14)21(17)18/h1-9H,(H,23,24)
InChI Key MYKOWOGZBMOVBJ-UHFFFAOYSA-N
Classification Click here for help
Compound class Synthetic organic
IUPAC Name Click here for help
11-oxo-3,10-diazapentacyclo[10.7.1.0^{2,10}.0^{4,9}.0^{16,20}]icosa-1(19),2,4,6,8,12,14,16(20),17-nonaene-17-carboxylic acid
Synonyms Click here for help
STO 609 | STO-609
Database Links Click here for help
CAS Registry No. 52029-86-4
ChEMBL Ligand CHEMBL1182777
GtoPdb PubChem SID 178101957
PubChem CID 3467590
RCSB PDB Ligand 609
Search Google for chemical match using the InChIKey MYKOWOGZBMOVBJ-UHFFFAOYSA-N
Search Google for chemicals with the same backbone MYKOWOGZBMOVBJ
Search UniChem for chemical match using the InChIKey MYKOWOGZBMOVBJ-UHFFFAOYSA-N
Search UniChem for chemicals with the same backbone MYKOWOGZBMOVBJ