| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 28th, 2009 | 28 | Yes |
Popular Name: 3-(2-ethoxyphenyl)-2-[(4-methylpiperazin-1-yl)methyl]quinazolin-4-one 3-(2-ethoxyphenyl)-2-[(4-methylp…
| 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) | 2.72 | 10.31 | -45.7 | 1 | 6 | 1 | 52 | 379.484 | 5 | ↓ |
| Mid Mid (pH 6-8) | 2.72 | 10.15 | -40.62 | 1 | 6 | 1 | 52 | 379.484 | 5 | ↓ |
| Mid Mid (pH 6-8) | 2.72 | 7.93 | -12.8 | 0 | 6 | 0 | 51 | 378.476 | 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 | 810 | 0.30 | Binding ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| HIF1A_HUMAN | Q16665 | Hypoxia-inducible Factor 1 Alpha, Human | 810 | 0.30 | Binding ≤ 1μM |
| HIF1A_HUMAN | Q16665 | Hypoxia-inducible Factor 1 Alpha, Human | 810 | 0.30 | 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 |
