| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 26th, 2009 | 24 | Yes |
Popular Name: (R)-3-((6,7,8,9-Tetrahydro-5H-benzo[7]annulen-5-yl)thio)-5-ureidoisothiazole-4-carboxamide (R)-3-((6,7,8,9-Tetrahydro-5H-be…
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CAS Number: 900525-26-0
| 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) | 2.66 | 1.93 | -13.02 | 5 | 6 | 0 | 111 | 362.48 | 4 | ↓ |
| 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 | 1 | 0.53 | Binding ≤ 10μM |
| NTRK1-1-E | Nerve Growth Factor Receptor Trk-A (cluster #1 Of 1), Eukaryotic | Eukaryotes | 17 | 0.45 | Functional ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| NTRK1_HUMAN | P04629 | Nerve Growth Factor Receptor Trk-A, Human | 1 | 0.53 | Binding ≤ 1μM |
| NTRK1_HUMAN | P04629 | Nerve Growth Factor Receptor Trk-A, Human | 1 | 0.53 | Binding ≤ 10μM |
| NTRK1_HUMAN | P04629 | Nerve Growth Factor Receptor Trk-A, Human | 17 | 0.45 | Functional ≤ 10μM |
| Description | Species |
|---|---|
| ARMS-mediated activation | |
| Frs2-mediated activation | |
| NGF-independant TRKA activation | |
| PI3K/AKT activation | |
| PLC-gamma1 signalling | |
| Retrograde neurotrophin signalling | |
| Signalling to p38 via RIT and RIN | |
| Signalling to RAS | |
| Signalling to STAT3 | |
| TRKA activation by NGF |
