UCSF

ZINC64531903

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
June 21st, 2011 28 Yes

Popular Name: 3-(2-naphthyl)-1-phenethyl-pyrazolo[3,4-d]pyrimidin-4-amine 3-(2-naphthyl)-1-phenethyl-pyraz…

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Download: MOL2 SDF SMILES Flexibase

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 4.35 12.89 -9.39 2 5 0 70 365.44 4 ↓

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
PK3CG-2-E PI3-kinase P110-gamma Subunit (cluster #2 Of 3), Eukaryotic Eukaryotes 6300 0.26 Binding ≤ 10μM
PRKDC-1-E DNA-dependent Protein Kinase (cluster #1 Of 1), Eukaryotic Eukaryotes 340 0.32 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
PRKDC_HUMAN P78527 DNA-dependent Protein Kinase, Human 340 0.32 Binding ≤ 1μM
PRKDC_HUMAN P78527 DNA-dependent Protein Kinase, Human 340 0.32 Binding ≤ 10μM
PK3CG_HUMAN P48736 PI3-kinase P110-gamma Subunit, Human 6300 0.26 Binding ≤ 10μM

Reactome Annotations from Targets (via Uniprot)

Description Species
Cytosolic sensors of pathogen-associated DNA
G beta:gamma signalling through PI3Kgamma
GPVI-mediated activation cascade
IRF3-mediated induction of type I IFN
Nonhomologous End-joining (NHEJ)
Processing of DNA ends prior to end rejoining
Synthesis of PIPs at the plasma membrane

Rings

Analogs ( Draw Identity 99% 90% 80% 70% )

No pre-computed analogs available. Try a structural similarity search.