| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 6th, 2004 | 22 | No |
Popular Name: AG-490 AG-490
Find On: PubMed — Wikipedia — Google
CAS Numbers: 133550-30-8 , 134036-52-5 , [133550-30-8]
(E)-N-benzyl-2-cyano-3-(3,4-dihydroxyphenyl)acrylamide
2-Propenamide,2-cyano-3-(3,4-dihydroxyphenyl)-N-(phenylmethyl)-
| 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) | 1.92 | 3.02 | -11.13 | 3 | 5 | 0 | 93 | 294.31 | 4 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| Target | JAK, EGFR | Selleck Chemicals |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| EGFR-2-E | Epidermal Growth Factor Receptor ErbB1 (cluster #2 Of 4), Eukaryotic | Eukaryotes | 2000 | 0.36 | Binding ≤ 10μM |
| JAK1-1-E | Tyrosine-protein Kinase JAK1 (cluster #1 Of 1), Eukaryotic | Eukaryotes | 3380 | 0.35 | Binding ≤ 10μM |
| EGFR-2-E | Epidermal Growth Factor Receptor ErbB1 (cluster #2 Of 2), Eukaryotic | Eukaryotes | 7000 | 0.33 | Functional ≤ 10μM |
| Z50425-11-O | Plasmodium Falciparum (cluster #11 Of 22), Other | Other | 10000 | 0.32 | Functional ≤ 10μM |
| Z50587-4-O | Homo Sapiens (cluster #4 Of 9), Other | Other | 3500 | 0.35 | Functional ≤ 10μM |
| Z80951-1-O | NIH3T3 (Fibroblasts) (cluster #1 Of 4), Other | Other | 3500 | 0.35 | Functional ≤ 10μM |
| Z80954-1-O | HFF (Foreskin Fibroblasts) (cluster #1 Of 4), Other | Other | 5584 | 0.33 | Functional ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| EGFR_HUMAN | P00533 | Epidermal Growth Factor Receptor ErbB1, Human | 100 | 0.45 | Binding ≤ 1μM |
| EGFR_HUMAN | P00533 | Epidermal Growth Factor Receptor ErbB1, Human | 100 | 0.45 | Binding ≤ 10μM |
| JAK1_HUMAN | P23458 | Tyrosine-protein Kinase JAK1, Human | 3380 | 0.35 | Binding ≤ 10μM |
| EGFR_HUMAN | P00533 | Epidermal Growth Factor Receptor ErbB1, Human | 3500 | 0.35 | Functional ≤ 10μM |
| Z80954 | Z80954 | HFF (Foreskin Fibroblasts) | 5584 | 0.33 | Functional ≤ 10μM |
| Z50587 | Z50587 | Homo Sapiens | 3500 | 0.35 | Functional ≤ 10μM |
| Z80951 | Z80951 | NIH3T3 (Fibroblasts) | 3500 | 0.35 | Functional ≤ 10μM |
| Z50425 | Z50425 | Plasmodium Falciparum | 10000 | 0.32 | Functional ≤ 10μM |
| Description | Species |
|---|---|
| Constitutive PI3K/AKT Signaling in Cancer | |
| EGFR downregulation | |
| EGFR interacts with phospholipase C-gamma | |
| EGFR Transactivation by Gastrin | |
| GAB1 signalosome | |
| GRB2 events in EGFR signaling | |
| GRB2 events in ERBB2 signaling | |
| Interferon alpha/beta signaling | |
| Interferon gamma signaling | |
| Interleukin receptor SHC signaling | |
| Interleukin-2 signaling | |
| Interleukin-6 signaling | |
| Interleukin-7 signaling | |
| ISG15 antiviral mechanism | |
| PI3K events in ERBB2 signaling | |
| PIP3 activates AKT signaling | |
| PLCG1 events in ERBB2 signaling | |
| Regulation of IFNA signaling | |
| Regulation of IFNG 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 |
