PP1   Click here for help

GtoPdb Ligand ID: 8836

Synonyms: pyrazolopyrimidine 1
PDB Ligand
Compound class: Synthetic organic
Comment: PP1 is a multi-kinase inhibitor.
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2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 4
Hydrogen bond donors 1
Rotatable bonds 2
Topological polar surface area 69.62
Molecular weight 281.16
XLogP 3.89
No. Lipinski's rules broken 0
SMILES / InChI / InChIKey
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Canonical SMILES Cc1ccc(cc1)c1nn(c2c1c(N)ncn2)C(C)(C)C
Isomeric SMILES Cc1ccc(cc1)c1nn(c2c1c(N)ncn2)C(C)(C)C
InChI InChI=1S/C16H19N5/c1-10-5-7-11(8-6-10)13-12-14(17)18-9-19-15(12)21(20-13)16(2,3)4/h5-9H,1-4H3,(H2,17,18,19)
InChI Key ZVPDNRVYHLRXLX-UHFFFAOYSA-N
Classification Click here for help
Compound class Synthetic organic
IUPAC Name Click here for help
1-tert-butyl-3-(4-methylphenyl)pyrazolo[4,5-e]pyrimidin-4-amine
Synonyms Click here for help
pyrazolopyrimidine 1
Database Links Click here for help
CAS Registry No. 172889-26-8 (source: PubChem)
ChEMBL Ligand CHEMBL306380
GtoPdb PubChem SID 252827493
PubChem CID 1400
RCSB PDB Ligand PP1
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Tocris
PP 1
Cat. No. 1397