GTP-14564   Click here for help

GtoPdb Ligand ID: 5982

Compound class: Synthetic organic
Comment: GTP-14564 is a reversible, and ATP-competitive inhibitor of class III receptor tyrosine kinases [3].
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 1
Hydrogen bond donors 1
Rotatable bonds 1
Topological polar surface area 41.82
Molecular weight 234.08
XLogP 4.39
No. Lipinski's rules broken 0
SMILES / InChI / InChIKey
Click here for help
Canonical SMILES c1ccc(cc1)c1n[nH]c2c1oc1c2cccc1
Isomeric SMILES c1ccc(cc1)c1n[nH]c2c1oc1c2cccc1
InChI InChI=1S/C15H10N2O/c1-2-6-10(7-3-1)13-15-14(17-16-13)11-8-4-5-9-12(11)18-15/h1-9H,(H,16,17)
InChI Key DZQLVVLATXPWBK-UHFFFAOYSA-N
Classification Click here for help
Compound class Synthetic organic
IUPAC Name Click here for help
5-phenyl-7-oxa-3,4-diazatricyclo[6.4.0.0^{2,6}]dodeca-1(12),2(6),4,8,10-pentaene
Database Links Click here for help
CAS Registry No. 34823-86-4
ChEMBL Ligand CHEMBL406375
GtoPdb PubChem SID 178102605
PubChem CID 3385203
Search Google for chemical match using the InChIKey DZQLVVLATXPWBK-UHFFFAOYSA-N
Search Google for chemicals with the same backbone DZQLVVLATXPWBK
Search UniChem for chemical match using the InChIKey DZQLVVLATXPWBK-UHFFFAOYSA-N
Search UniChem for chemicals with the same backbone DZQLVVLATXPWBK

Product suppliers

View disclaimer

Tocris
GTP 14564
Cat. No. 2086