| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| September 29th, 2005 | 23 | No |
| 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) | 4.24 | -1.27 | -13.95 | 2 | 5 | 0 | 66 | 369.222 | 4 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| ALOGPS_SOLUBILITY | 8.07e-03 g/l | DrugBank-experimental |
| Target | EGFR | Selleck Chemicals |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| BLK-1-E | Tyrosine-protein Kinase BLK (cluster #1 Of 1), Eukaryotic | Eukaryotes | 5470 | 0.32 | Binding ≤ 10μM |
| BMX-1-E | Tyrosine-protein Kinase BMX (cluster #1 Of 1), Eukaryotic | Eukaryotes | 324 | 0.40 | Binding ≤ 10μM |
| BTK-1-E | Tyrosine-protein Kinase BTK (cluster #1 Of 1), Eukaryotic | Eukaryotes | 5830 | 0.32 | Binding ≤ 10μM |
| EGFR-3-E | Epidermal Growth Factor Receptor ErbB1 (cluster #3 Of 4), Eukaryotic | Eukaryotes | 4 | 0.51 | Binding ≤ 10μM |
| ERBB2-2-E | Receptor Protein-tyrosine Kinase ErbB-2 (cluster #2 Of 3), Eukaryotic | Eukaryotes | 6 | 0.50 | Binding ≤ 10μM |
| ERBB4-1-E | Receptor Protein-tyrosine Kinase ErbB-4 (cluster #1 Of 1), Eukaryotic | Eukaryotes | 12 | 0.48 | Binding ≤ 10μM |
| JAK3-1-E | Tyrosine-protein Kinase JAK3 (cluster #1 Of 2), Eukaryotic | Eukaryotes | 3140 | 0.33 | Binding ≤ 10μM |
| Z80262-1-O | NCI-H1975 (Bronchoalveolar Carcinoma Cells) (cluster #1 Of 1), Other | Other | 610 | 0.38 | Functional ≤ 10μM |
| Z80475-3-O | SK-BR-3 (Breast Adenocarcinoma) (cluster #3 Of 3), Other | Other | 15 | 0.48 | Functional ≤ 10μM |
| Z80852-3-O | A-431 (Epidermoid Carcinoma Cells) (cluster #3 Of 3), Other | Other | 95 | 0.43 | Functional ≤ 10μM |
| Z81331-1-O | SW-620 (Colon Adenocarcinoma Cells) (cluster #1 Of 6), Other | Other | 4133 | 0.33 | Functional ≤ 10μM |
| Z81331-2-O | SW-620 (Colon Adenocarcinoma Cells) (cluster #2 Of 2), Other | Other | 8230 | 0.31 | ADME/T ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| EGFR_HUMAN | P00533 | Epidermal Growth Factor Receptor ErbB1, Human | 0.1 | 0.61 | Binding ≤ 1μM |
| ERBB2_HUMAN | P04626 | Receptor Protein-tyrosine Kinase ErbB-2, Human | 114 | 0.42 | Binding ≤ 1μM |
| ERBB4_HUMAN | Q15303 | Receptor Protein-tyrosine Kinase ErbB-4, Human | 12 | 0.48 | Binding ≤ 1μM |
| BMX_HUMAN | P51813 | Tyrosine-protein Kinase BMX, Human | 303 | 0.40 | Binding ≤ 1μM |
| EGFR_HUMAN | P00533 | Epidermal Growth Factor Receptor ErbB1, Human | 0.1 | 0.61 | Binding ≤ 10μM |
| ERBB2_HUMAN | P04626 | Receptor Protein-tyrosine Kinase ErbB-2, Human | 114 | 0.42 | Binding ≤ 10μM |
| ERBB4_HUMAN | Q15303 | Receptor Protein-tyrosine Kinase ErbB-4, Human | 12 | 0.48 | Binding ≤ 10μM |
| BLK_HUMAN | P51451 | Tyrosine-protein Kinase BLK, Human | 5470 | 0.32 | Binding ≤ 10μM |
| BMX_HUMAN | P51813 | Tyrosine-protein Kinase BMX, Human | 1100 | 0.36 | Binding ≤ 10μM |
| BTK_HUMAN | Q06187 | Tyrosine-protein Kinase BTK, Human | 5830 | 0.32 | Binding ≤ 10μM |
| JAK3_HUMAN | P52333 | Tyrosine-protein Kinase JAK3, Human | 3140 | 0.33 | Binding ≤ 10μM |
| Z80852 | Z80852 | A-431 (Epidermoid Carcinoma Cells) | 1960 | 0.35 | Functional ≤ 10μM |
| Z80262 | Z80262 | NCI-H1975 (Bronchoalveolar Carcinoma Cells) | 610 | 0.38 | Functional ≤ 10μM |
| Z80475 | Z80475 | SK-BR-3 (Breast Adenocarcinoma) | 15 | 0.48 | Functional ≤ 10μM |
| Z81331 | Z81331 | SW-620 (Colon Adenocarcinoma Cells) | 4133 | 0.33 | Functional ≤ 10μM |
| Z81331 | Z81331 | SW-620 (Colon Adenocarcinoma Cells) | 8230 | 0.31 | ADME/T ≤ 10μM |
| Description | Species |
|---|---|
| Antigen activates B Cell Receptor (BCR) leading to generation of second messenge | |
| Apoptotic cleavage of cellular proteins | |
| Constitutive PI3K/AKT Signaling in Cancer | |
| DAP12 signaling | |
| Downregulation of ERBB2:ERBB3 signaling | |
| EGFR downregulation | |
| EGFR interacts with phospholipase C-gamma | |
| EGFR Transactivation by Gastrin | |
| FCERI mediated Ca+2 mobilization | |
| GAB1 signalosome | |
| GRB2 events in EGFR signaling | |
| GRB2 events in ERBB2 signaling | |
| GRB7 events in ERBB2 signaling | |
| Interleukin receptor SHC signaling | |
| Interleukin-2 signaling | |
| Interleukin-7 signaling | |
| MyD88:Mal cascade initiated on plasma membrane | |
| PI3K events in ERBB2 signaling | |
| PIP3 activates AKT signaling | |
| PLCG1 events in ERBB2 signaling | |
| Regulation of actin dynamics for phagocytic cup formation | |
| Sema4D induced cell migration and growth-cone collapse | |
| 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 |
