PP2   

GtoPdb Ligand ID: 9404

Compound class: Synthetic organic
Comment: PP2 is a non-selective (pan) inhibitor of Src family tyrosine kinases, used widely to study the biological roles of Src kinases [1].
2D Structure
Click here for structure editor
Physico-chemical Properties
Hydrogen bond acceptors 4
Hydrogen bond donors 1
Rotatable bonds 2
Topological polar surface area 69.62
Molecular weight 301.11
XLogP 4.08
No. Lipinski's rules broken 0
SMILES / InChI / InChIKey
Canonical SMILES Clc1ccc(cc1)c1nn(c2c1c(N)ncn2)C(C)(C)C
Isomeric SMILES Clc1ccc(cc1)c1nn(c2c1c(N)ncn2)C(C)(C)C
InChI InChI=1S/C15H16ClN5/c1-15(2,3)21-14-11(13(17)18-8-19-14)12(20-21)9-4-6-10(16)7-5-9/h4-8H,1-3H3,(H2,17,18,19)
InChI Key PBBRWFOVCUAONR-UHFFFAOYSA-N
Classification
Compound class Synthetic organic
IUPAC Name
1-tert-butyl-3-(4-chlorophenyl)pyrazolo[4,5-e]pyrimidin-4-amine
Database Links
ChEMBL Ligand CHEMBL406845
GtoPdb PubChem SID 328083506
PubChem CID 4878
Search Google for chemical match using the InChIKey PBBRWFOVCUAONR-UHFFFAOYSA-N
Search Google for chemicals with the same backbone PBBRWFOVCUAONR
Search UniChem for chemical match using the InChIKey PBBRWFOVCUAONR-UHFFFAOYSA-N
Search UniChem for chemicals with the same backbone PBBRWFOVCUAONR
SynPHARM 84043 (in complex with LCK proto-oncogene, Src family tyrosine kinase)

Product suppliers

View disclaimer

Tocris
PP 2
Cat. No. 1407