| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 28th, 2005 | 34 | No |
Popular Name: AFATINIB AFATINIB
Find On: PubMed — Wikipedia — Google
CAS Numbers: 439081-18-2 , 850140-72-6 , [439081-18-2] , [850140-72-6]
Afatinib (USAN); Afatinib Dimaleate (USAN)
Afatinib dimaleate (USAN); Afatinib maleate (JAN); D09733
| 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) | 4.22 | 10.76 | -50.87 | 3 | 8 | 1 | 90 | 486.955 | 8 | ↓ |
| Hi High (pH 8-9.5) | 1.74 | 4.81 | -100.06 | 7 | 8 | 2 | 122 | 438.507 | 5 | ↓ |
| Mid Mid (pH 6-8) | 4.22 | 8.25 | -11.4 | 2 | 8 | 0 | 89 | 485.947 | 8 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| Target | EGFR | Selleck Chemicals |
| Target | EGFR, HER2 | Selleck Chemicals |
| Reactome Database Links | REACT_115744; REACT_116096 | ChEBI |
| 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 | 6 | 0.34 | Binding ≤ 10μM |
| ERBB2-2-E | Receptor Protein-tyrosine Kinase ErbB-2 (cluster #2 Of 3), Eukaryotic | Eukaryotes | 2 | 0.36 | Binding ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| EGFR_HUMAN | P00533 | Epidermal Growth Factor Receptor ErbB1, Human | 11 | 0.33 | Binding ≤ 1μM |
| ERBB2_HUMAN | P04626 | Receptor Protein-tyrosine Kinase ErbB-2, Human | 2 | 0.36 | Binding ≤ 1μM |
| EGFR_HUMAN | P00533 | Epidermal Growth Factor Receptor ErbB1, Human | 11 | 0.33 | Binding ≤ 10μM |
| ERBB2_HUMAN | P04626 | Receptor Protein-tyrosine Kinase ErbB-2, Human | 2 | 0.36 | Binding ≤ 10μM |
| Description | Species |
|---|---|
| Signaling by constitutively active EGFR |
| Description | Species |
|---|---|
| Constitutive PI3K/AKT Signaling in Cancer | |
| Downregulation of ERBB2:ERBB3 signaling | |
| EGFR downregulation | |
| EGFR interacts with phospholipase C-gamma | |
| EGFR Transactivation by Gastrin | |
| GAB1 signalosome | |
| GRB2 events in EGFR signaling | |
| GRB2 events in ERBB2 signaling | |
| GRB7 events in ERBB2 signaling | |
| PI3K events in ERBB2 signaling | |
| PIP3 activates AKT signaling | |
| PLCG1 events in ERBB2 signaling | |
| 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 |
