| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 20th, 2005 | 16 | No |
Popular Name: 2-cyano-3-(1H-indol-3-yl)acrylamide 2-cyano-3-(1H-indol-3-yl)acrylamide
Find On: PubMed — Wikipedia — Google
CAS Number: 6940-85-8
| 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) | 1.09 | 2.65 | -7.78 | 3 | 4 | 0 | 83 | 211.224 | 2 | ↓ |
| Hi High (pH 8-9.5) | 1.40 | 1.25 | -44.94 | 2 | 4 | -1 | 86 | 210.216 | 2 | ↓ |
| 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 | 6500 | 0.45 | Binding ≤ 10μM |
| PGFRA-1-E | Platelet-derived Growth Factor Receptor Alpha (cluster #1 Of 2), Eukaryotic | Eukaryotes | 6500 | 0.45 | Binding ≤ 10μM |
| PGFRB-1-E | Platelet-derived Growth Factor Receptor Beta (cluster #1 Of 1), Eukaryotic | Eukaryotes | 6500 | 0.45 | Binding ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| EGFR_MOUSE | Q01279 | Epidermal Growth Factor Receptor ErbB1, Mouse | 6500 | 0.45 | Binding ≤ 10μM |
| PGFRA_MOUSE | P26618 | Platelet-derived Growth Factor Receptor Alpha, Mouse | 6500 | 0.45 | Binding ≤ 10μM |
| PGFRB_MOUSE | P05622 | Platelet-derived Growth Factor Receptor Beta, Mouse | 6500 | 0.45 | Binding ≤ 10μM |
| Description | Species |
|---|---|
| Constitutive PI3K/AKT Signaling in Cancer | |
| Downstream signal transduction | |
| EGFR downregulation | |
| EGFR interacts with phospholipase C-gamma | |
| EGFR Transactivation by Gastrin | |
| GAB1 signalosome | |
| 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 | |
| Signaling by PDGF |
No pre-computed analogs available. Try a structural similarity search.