| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| July 23rd, 2004 | 23 | Yes |
Popular Name: 2-oxo-4-(3-pyridinyl)-1,5-dihydro-2H-thiochromeno[4,3-b]pyridine-3-carbonitrile 2-oxo-4-(3-pyridinyl)-1,5-dihydr…
| 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) | 2.76 | -0.22 | -13.66 | 1 | 4 | 0 | 69 | 317.373 | 1 | ↓ |
| Lo Low (pH 4.5-6) | 2.76 | -0.12 | -49.17 | 2 | 4 | 1 | 70 | 318.381 | 1 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| PIM1-1-E | Serine/threonine-protein Kinase PIM1 (cluster #1 Of 1), Eukaryotic | Eukaryotes | 4790 | 0.32 | Binding ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| PIM1_HUMAN | P11309 | Serine/threonine-protein Kinase PIM1, Human | 4790 | 0.32 | Binding ≤ 10μM |
