| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| May 21st, 2007 | 16 | Yes |
Popular Name: 1H-Pyrazolo[3,4-d]pyrimidin-4-amine, 3-phenyl- 1H-Pyrazolo[3,4-d]pyrimidin-4-am…
Find On: PubMed — Wikipedia — Google
CAS Number: 42754-69-8
| 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) | 1.30 | 4.76 | -7.8 | 3 | 5 | 0 | 80 | 211.228 | 1 | ↓ |
| Ref Reference (pH 7) | 1.30 | 4.79 | -11.82 | 3 | 5 | 0 | 80 | 211.228 | 1 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| PUBCHEM_PATENT_ID | EP0682519A1; US5646128; WO1992012718A1; WO1994017803A1 | IBM Patent Data |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| PK3CA-2-E | PI3-kinase P110-alpha Subunit (cluster #2 Of 2), Eukaryotic | Eukaryotes | 8600 | 0.44 | Binding ≤ 10μM |
| PRKDC-1-E | DNA-dependent Protein Kinase (cluster #1 Of 1), Eukaryotic | Eukaryotes | 1600 | 0.51 | Binding ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| PRKDC_HUMAN | P78527 | DNA-dependent Protein Kinase, Human | 1600 | 0.51 | Binding ≤ 10μM |
| PK3CA_HUMAN | P42336 | PI3-kinase P110-alpha Subunit, Human | 8600 | 0.44 | Binding ≤ 10μM |
| Description | Species |
|---|---|
| CD28 dependent PI3K/Akt signaling | |
| Constitutive PI3K/AKT Signaling in Cancer | |
| Costimulation by the CD28 family | |
| Cytosolic sensors of pathogen-associated DNA | |
| DAP12 signaling | |
| Downstream signal transduction | |
| Downstream TCR signaling | |
| G alpha (12/13) signalling events | |
| G alpha (q) signalling events | |
| GAB1 signalosome | |
| GPVI-mediated activation cascade | |
| Interleukin receptor SHC signaling | |
| Interleukin-3, 5 and GM-CSF signaling | |
| IRF3-mediated induction of type I IFN | |
| Nephrin interactions | |
| Nonhomologous End-joining (NHEJ) | |
| PI-3K cascade | |
| PI3K Cascade | |
| PI3K events in ERBB2 signaling | |
| PI3K events in ERBB4 signaling | |
| PI3K/AKT activation | |
| PIP3 activates AKT signaling | |
| Processing of DNA ends prior to end rejoining | |
| Regulation of signaling by CBL | |
| Role of LAT2/NTAL/LAB on calcium mobilization | |
| Role of phospholipids in phagocytosis | |
| Signaling by constitutively active EGFR | |
| Signaling by FGFR mutants | |
| Signaling by FGFR1 fusion mutants | |
| Signaling by SCF-KIT | |
| Synthesis of PIPs at the plasma membrane | |
| Tie2 Signaling | |
| VEGFA-VEGFR2 Pathway |
No pre-computed analogs available. Try a structural similarity search.