| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| January 19th, 2006 | 19 | No |
Popular Name: 3-(4-hydroxy-3-methoxy-phenyl)-2-(2-pyridyl)prop-2-enenitrile 3-(4-hydroxy-3-methoxy-phenyl)-2…
| 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) | 1.95 | 0.68 | -9.74 | 1 | 4 | 0 | 66 | 252.273 | 3 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| EGFR-2-E | Epidermal Growth Factor Receptor ErbB1 (cluster #2 Of 2), Eukaryotic | Eukaryotes | 2100 | 0.42 | Functional ≤ 10μM |
| IGF1R-1-E | Insulin-like Growth Factor I Receptor (cluster #1 Of 1), Eukaryotic | Eukaryotes | 2900 | 0.41 | Functional ≤ 10μM |
| MPRI-1-E | Insulin-like Growth Factor II Receptor (cluster #1 Of 1), Eukaryotic | Eukaryotes | 3200 | 0.40 | Functional ≤ 10μM |
| Z80224-1-O | MCF7 (Breast Carcinoma Cells) (cluster #1 Of 14), Other | Other | 700 | 0.45 | Functional ≤ 10μM |
| Z80244-4-O | MDA-MB-468 (Breast Adenocarcinoma) (cluster #4 Of 7), Other | Other | 60 | 0.53 | Functional ≤ 10μM |
| Z80475-3-O | SK-BR-3 (Breast Adenocarcinoma) (cluster #3 Of 3), Other | Other | 500 | 0.46 | Functional ≤ 10μM |
| Z80608-1-O | ZR-75-1 (Breast Carcinoma Cells) (cluster #1 Of 4), Other | Other | 2600 | 0.41 | Functional ≤ 10μM |
| Z80712-2-O | T47D (Breast Carcinoma Cells) (cluster #2 Of 7), Other | Other | 6000 | 0.38 | Functional ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| EGFR_HUMAN | P00533 | Epidermal Growth Factor Receptor ErbB1, Human | 2100 | 0.42 | Functional ≤ 10μM |
| IGF1R_HUMAN | P08069 | Insulin-like Growth Factor I Receptor, Human | 2900 | 0.41 | Functional ≤ 10μM |
| MPRI_HUMAN | P11717 | Insulin-like Growth Factor II Receptor, Human | 3200 | 0.40 | Functional ≤ 10μM |
| Z80224 | Z80224 | MCF7 (Breast Carcinoma Cells) | 2100 | 0.42 | Functional ≤ 10μM |
| Z80244 | Z80244 | MDA-MB-468 (Breast Adenocarcinoma) | 60 | 0.53 | Functional ≤ 10μM |
| Z80475 | Z80475 | SK-BR-3 (Breast Adenocarcinoma) | 500 | 0.46 | Functional ≤ 10μM |
| Z80712 | Z80712 | T47D (Breast Carcinoma Cells) | 6000 | 0.38 | Functional ≤ 10μM |
| Z80608 | Z80608 | ZR-75-1 (Breast Carcinoma Cells) | 2600 | 0.41 | Functional ≤ 10μM |
| Description | Species |
|---|---|
| Constitutive PI3K/AKT Signaling in Cancer | |
| EGFR downregulation | |
| EGFR interacts with phospholipase C-gamma | |
| EGFR Transactivation by Gastrin | |
| GAB1 signalosome | |
| Golgi Associated Vesicle Biogenesis | |
| GRB2 events in EGFR signaling | |
| GRB2 events in ERBB2 signaling | |
| IRS-related events triggered by IGF1R | |
| PI3K events in ERBB2 signaling | |
| PIP3 activates AKT signaling | |
| PLCG1 events in ERBB2 signaling | |
| SHC-related events triggered by IGF1R | |
| 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 | |
| Signaling by Type 1 Insulin-like Growth Factor 1 Receptor (IGF1R) |
