| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 12th, 2008 | 30 | Yes |
Popular Name: 3-[6-[(4-methylpiperazin-1-yl)methyl]-4-morpholino-thieno[3,2-d]pyrimidin-2-yl]phenol 3-[6-[(4-methylpiperazin-1-yl)me…
| 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) | 2.92 | 5.72 | -47.45 | 2 | 7 | 1 | 66 | 426.566 | 4 | ↓ |
| Mid Mid (pH 6-8) | 2.92 | 5.61 | -50.68 | 2 | 7 | 1 | 66 | 426.566 | 4 | ↓ |
| Mid Mid (pH 6-8) | 2.92 | 3.24 | -11.66 | 1 | 7 | 0 | 65 | 425.558 | 4 | ↓ |
| Lo Low (pH 4.5-6) | 2.92 | 6.03 | -87.58 | 3 | 7 | 2 | 67 | 427.574 | 4 | ↓ |
| 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 | 10 | 0.37 | Binding ≤ 10μM |
| Z81034-1-O | A2780 (Ovarian Carcinoma Cells) (cluster #1 Of 10), Other | Other | 160 | 0.32 | Functional ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| PK3CA_HUMAN | P42336 | PI3-kinase P110-alpha Subunit, Human | 10 | 0.37 | Binding ≤ 1μM |
| PK3CA_HUMAN | P42336 | PI3-kinase P110-alpha Subunit, Human | 10 | 0.37 | Binding ≤ 10μM |
| Z81034 | Z81034 | A2780 (Ovarian Carcinoma Cells) | 160 | 0.32 | Functional ≤ 10μM |
| Description | Species |
|---|---|
| CD28 dependent PI3K/Akt signaling | |
| Constitutive PI3K/AKT Signaling in Cancer | |
| Costimulation by the CD28 family | |
| 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 | |
| Nephrin interactions | |
| PI-3K cascade | |
| PI3K Cascade | |
| PI3K events in ERBB2 signaling | |
| PI3K events in ERBB4 signaling | |
| PI3K/AKT activation | |
| PIP3 activates AKT signaling | |
| 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 |
