| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| June 26th, 2008 | 34 | Yes |
Popular Name: 3-(2-ethoxyphenyl)-2-{[4-(2-furoyl)-1-piperazinyl]methyl}-4(3H)-quinazolinone 3-(2-ethoxyphenyl)-2-{[4-(2-furo…
| 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) | 3.01 | 10.47 | -18.81 | 0 | 8 | 0 | 81 | 458.518 | 6 | ↓ |
| Hi High (pH 8-9.5) | 3.47 | 11.68 | -19.1 | 1 | 8 | 0 | 84 | 458.518 | 5 | ↓ |
| Hi High (pH 8-9.5) | 3.47 | 10.65 | -18.87 | 1 | 8 | 0 | 84 | 458.518 | 5 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| HIF1A-1-E | Hypoxia-inducible Factor 1-alpha (cluster #1 Of 2), Eukaryotic | Eukaryotes | 430 | 0.26 | Binding ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| HIF1A_HUMAN | Q16665 | Hypoxia-inducible Factor 1 Alpha, Human | 430 | 0.26 | Binding ≤ 1μM |
| HIF1A_HUMAN | Q16665 | Hypoxia-inducible Factor 1 Alpha, Human | 430 | 0.26 | Binding ≤ 10μM |
| Description | Species |
|---|---|
| Circadian Clock | |
| NOTCH1 Intracellular Domain Regulates Transcription | |
| Oxygen-dependent asparagine hydroxylation of Hypoxia-inducible Factor Alpha | |
| Oxygen-dependent proline hydroxylation of Hypoxia-inducible Factor Alpha | |
| Regulation of gene expression by Hypoxia-inducible Factor |
