| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| February 4th, 2009 | 24 | Yes |
Popular Name: N-(3-ethynyl-4-fluoro-phenyl)-6,7-dimethoxy-quinazolin-4-amine N-(3-ethynyl-4-fluoro-phenyl)-6,…
None
| 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) | 3.13 | 9.22 | -15.97 | 1 | 5 | 0 | 56 | 323.327 | 4 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| EGFR-3-E | Epidermal Growth Factor Receptor ErbB1 (cluster #3 Of 4), Eukaryotic | Eukaryotes | 4 | 0.49 | Binding ≤ 10μM |
| F16P1-1-E | Fructose-1,6-bisphosphatase 1 (cluster #1 Of 2), Eukaryotic | Eukaryotes | 250 | 0.39 | Binding ≤ 10μM |
| F16P2-1-E | Fructose-1,6-bisphosphatase 2 (cluster #1 Of 1), Eukaryotic | Eukaryotes | 250 | 0.39 | Binding ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| EGFR_HUMAN | P00533 | Epidermal Growth Factor Receptor ErbB1, Human | 4 | 0.49 | Binding ≤ 1μM |
| F16P1_HUMAN | P09467 | Fructose-1,6-bisphosphatase, Human | 250 | 0.39 | Binding ≤ 1μM |
| F16P1_PIG | P00636 | Fructose-1,6-bisphosphatase, Pig | 770 | 0.36 | Binding ≤ 1μM |
| F16P2_HUMAN | O00757 | Fructose-1,6-bisphosphatase 2, Human | 250 | 0.39 | Binding ≤ 1μM |
| EGFR_HUMAN | P00533 | Epidermal Growth Factor Receptor ErbB1, Human | 4 | 0.49 | Binding ≤ 10μM |
| F16P1_HUMAN | P09467 | Fructose-1,6-bisphosphatase, Human | 250 | 0.39 | Binding ≤ 10μM |
| F16P1_PIG | P00636 | Fructose-1,6-bisphosphatase, Pig | 770 | 0.36 | Binding ≤ 10μM |
| F16P2_HUMAN | O00757 | Fructose-1,6-bisphosphatase 2, Human | 250 | 0.39 | Binding ≤ 10μM |
| Description | Species |
|---|---|
| Constitutive PI3K/AKT Signaling in Cancer | |
| EGFR downregulation | |
| EGFR interacts with phospholipase C-gamma | |
| EGFR Transactivation by Gastrin | |
| GAB1 signalosome | |
| Gluconeogenesis | |
| GRB2 events in EGFR signaling | |
| GRB2 events in ERBB2 signaling | |
| PI3K events in ERBB2 signaling | |
| PIP3 activates AKT signaling | |
| PLCG1 events in ERBB2 signaling | |
| SHC1 events in EGFR signaling | |
| SHC1 events in ERBB2 signaling | |
| Signal transduction by L1 | |
| Signaling by constitutively active EGFR | |
| Signaling by EGFR | |
| Signaling by ERBB2 | |
| Signaling by ERBB4 |
