| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| August 20th, 2011 | 32 | No |
None
| 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) | 5.50 | 7.66 | -15.85 | 0 | 7 | 0 | 88 | 463.437 | 5 | ↓ |
| Lo Low (pH 4.5-6) | 5.50 | 8.09 | -42.2 | 1 | 7 | 1 | 89 | 464.445 | 5 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| IGF1R-1-E | Insulin-like Growth Factor 1 Receptor (cluster #1 Of 2), Eukaryotic | Eukaryotes | 600 | 0.27 | Binding ≤ 10μM |
| INSR-1-E | Insulin Receptor (cluster #1 Of 1), Eukaryotic | Eukaryotes | 300 | 0.29 | Binding ≤ 10μM |
| CP2C9-1-E | Cytochrome P450 2C9 (cluster #1 Of 3), Eukaryotic | Eukaryotes | 700 | 0.27 | ADME/T ≤ 10μM |
| Z80253-1-O | MEF (Embryonic Fibroblast Cells) (cluster #1 Of 1), Other | Other | 0 | 0.00 | Functional ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| INSR_HUMAN | P06213 | Insulin Receptor, Human | 300 | 0.29 | Binding ≤ 1μM |
| IGF1R_HUMAN | P08069 | Insulin-like Growth Factor I Receptor, Human | 500 | 0.28 | Binding ≤ 1μM |
| INSR_HUMAN | P06213 | Insulin Receptor, Human | 300 | 0.29 | Binding ≤ 10μM |
| IGF1R_HUMAN | P08069 | Insulin-like Growth Factor I Receptor, Human | 500 | 0.28 | Binding ≤ 10μM |
| Z80253 | Z80253 | MEF (Embryonic Fibroblast Cells) | 0.3 | 0.42 | Functional ≤ 10μM |
| CP2C9_HUMAN | P11712 | Cytochrome P450 2C9, Human | 700 | 0.27 | ADME/T ≤ 10μM |
| Description | Species |
|---|---|
| CYP2E1 reactions | |
| Insulin receptor recycling | |
| IRS activation | |
| IRS-related events triggered by IGF1R | |
| SHC activation | |
| SHC-related events triggered by IGF1R | |
| Signal attenuation | |
| Signaling by Insulin receptor | |
| Signaling by Type 1 Insulin-like Growth Factor 1 Receptor (IGF1R) | |
| Synthesis of (16-20)-hydroxyeicosatetraenoic acids (HETE) | |
| Synthesis of epoxy (EET) and dihydroxyeicosatrienoic acids (DHET) | |
| Xenobiotics |
