| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| February 24th, 2009 | 28 | No |
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CAS Number: 223645-89-4
| 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) | 5.44 | 8.02 | -11.94 | 2 | 5 | 0 | 75 | 502.162 | 3 | ↓ |
| Hi High (pH 8-9.5) | 5.44 | 8.66 | -49.09 | 1 | 5 | -1 | 78 | 501.154 | 3 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| NTRK1-1-E | Nerve Growth Factor Receptor Trk-A (cluster #1 Of 1), Eukaryotic | Eukaryotes | 8 | 0.40 | Binding ≤ 10μM |
| RAF1-1-E | Serine/threonine-protein Kinase RAF (cluster #1 Of 1), Eukaryotic | Eukaryotes | 700 | 0.31 | Binding ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| NTRK1_HUMAN | P04629 | Nerve Growth Factor Receptor Trk-A, Human | 8 | 0.40 | Binding ≤ 1μM |
| RAF1_HUMAN | P04049 | Serine/threonine-protein Kinase RAF, Human | 700 | 0.31 | Binding ≤ 1μM |
| NTRK1_HUMAN | P04629 | Nerve Growth Factor Receptor Trk-A, Human | 8 | 0.40 | Binding ≤ 10μM |
| RAF1_HUMAN | P04049 | Serine/threonine-protein Kinase RAF, Human | 700 | 0.31 | Binding ≤ 10μM |
| Description | Species |
|---|---|
| ARMS-mediated activation | |
| CREB phosphorylation through the activation of Ras | |
| Frs2-mediated activation | |
| GP1b-IX-V activation signalling | |
| MEK activation | |
| NGF-independant TRKA activation | |
| PI3K/AKT activation | |
| PLC-gamma1 signalling | |
| RAF activation | |
| RAF phosphorylates MEK | |
| Rap1 signalling | |
| Retrograde neurotrophin signalling | |
| Signalling to p38 via RIT and RIN | |
| Signalling to RAS | |
| Signalling to STAT3 | |
| Stimuli-sensing channels | |
| TRKA activation by NGF |
