TG-100-115

Ligand id: 5715

Name: TG-100-115

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 6
Hydrogen bond donors 4
Rotatable bonds 2
Topological polar surface area 144.06
Molecular weight 346.12
XLogP 1.69
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
IUPAC Name
3-[2,4-diamino-6-(3-hydroxyphenyl)pteridin-7-yl]phenol
Synonyms
TG 100-115 | TG 100115 | TG100-115
Database Links
CAS Registry No. 677297-51-7
ChEMBL Ligand CHEMBL230011
PubChem CID 10427712
Search Google for chemical match using the InChIKey UJIAQDJKSXQLIT-UHFFFAOYSA-N
Search Google for chemicals with the same backbone UJIAQDJKSXQLIT
Search UniChem for chemical match using the InChIKey UJIAQDJKSXQLIT-UHFFFAOYSA-N
Search UniChem for chemicals with the same backbone UJIAQDJKSXQLIT
Comments
TG-100-115 is an isozyme-selective inhibitor of phosphatidylinositol-3-kinase (PI3K). The discovery and synthesis of this compound is described in [2], where it is compound 6.