| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 24th, 2005 | 30 | Yes |
Popular Name: 4,4'-(6-(2-(Difluoromethyl)-1H-benzo[d]imidazol-1-yl)-1,3,5-triazine-2,4-diyl)dimorpholine 4,4'-(6-(2-(Difluoromethyl)-1H-b…
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CAS Numbers: 475110-96-4 , [475110-96-4]
| 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) | 3.14 | -4.94 | -11.62 | 0 | 9 | 0 | 81 | 417.42 | 4 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| Purity | >99% | Fluorochem |
| Target | PI3K | Selleck Chemicals |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| MTOR-2-E | Serine/threonine-protein Kinase MTOR (cluster #2 Of 3), Eukaryotic | Eukaryotes | 45 | 0.34 | Binding ≤ 10μM |
| PK3CA-2-E | PI3-kinase P110-alpha Subunit (cluster #2 Of 2), Eukaryotic | Eukaryotes | 16 | 0.36 | Binding ≤ 10μM |
| PK3CB-2-E | PI3-kinase P110-beta Subunit (cluster #2 Of 2), Eukaryotic | Eukaryotes | 44 | 0.34 | Binding ≤ 10μM |
| PK3CD-2-E | PI3-kinase P110-delta Subunit (cluster #2 Of 2), Eukaryotic | Eukaryotes | 5 | 0.39 | Binding ≤ 10μM |
| PK3CG-2-E | PI3-kinase P110-gamma Subunit (cluster #2 Of 3), Eukaryotic | Eukaryotes | 49 | 0.34 | Binding ≤ 10μM |
| Z81170-1-O | LNCaP (Prostate Carcinoma) (cluster #1 Of 5), Other | Other | 210 | 0.31 | Functional ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| PK3CA_HUMAN | P42336 | PI3-kinase P110-alpha Subunit, Human | 16 | 0.36 | Binding ≤ 1μM |
| PK3CB_HUMAN | P42338 | PI3-kinase P110-beta Subunit, Human | 44 | 0.34 | Binding ≤ 1μM |
| PK3CD_HUMAN | O00329 | PI3-kinase P110-delta Subunit, Human | 4.6 | 0.39 | Binding ≤ 1μM |
| PK3CG_HUMAN | P48736 | PI3-kinase P110-gamma Subunit, Human | 49 | 0.34 | Binding ≤ 1μM |
| MTOR_RAT | P42346 | Serine/threonine-protein Kinase MTOR, Rat | 45 | 0.34 | Binding ≤ 1μM |
| PK3CA_HUMAN | P42336 | PI3-kinase P110-alpha Subunit, Human | 16 | 0.36 | Binding ≤ 10μM |
| PK3CB_HUMAN | P42338 | PI3-kinase P110-beta Subunit, Human | 44 | 0.34 | Binding ≤ 10μM |
| PK3CD_HUMAN | O00329 | PI3-kinase P110-delta Subunit, Human | 4.6 | 0.39 | Binding ≤ 10μM |
| PK3CG_HUMAN | P48736 | PI3-kinase P110-gamma Subunit, Human | 49 | 0.34 | Binding ≤ 10μM |
| MTOR_RAT | P42346 | Serine/threonine-protein Kinase MTOR, Rat | 45 | 0.34 | Binding ≤ 10μM |
| Z81170 | Z81170 | LNCaP (Prostate Carcinoma) | 210 | 0.31 | Functional ≤ 10μM |
| Description | Species |
|---|---|
| Antigen activates B Cell Receptor (BCR) leading to generation of second messenge | |
| 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 | |
| G beta:gamma signalling through PI3Kgamma | |
| GAB1 signalosome | |
| GPVI-mediated activation cascade | |
| HSF1-dependent transactivation | |
| Interleukin receptor SHC signaling | |
| Interleukin-3, 5 and GM-CSF signaling | |
| mTOR signalling | |
| 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 | |
| Release of eIF4E | |
| Role of LAT2/NTAL/LAB on calcium mobilization | |
| Role of phospholipids in phagocytosis | |
| S6K1-mediated signalling | |
| 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 | |
| VEGFR2 mediated vascular permeability |
