| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| July 29th, 2009 | 20 | Yes |
Popular Name: 4-(4-oxocyclohexa-2,5-dien-1-ylidene)-6-phenyl-1H-pyrimidin-2-one 4-(4-oxocyclohexa-2,5-dien-1-yli…
| 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) | 2.74 | 3.77 | -17.45 | 2 | 4 | 0 | 66 | 264.284 | 2 | ↓ |
| Hi High (pH 8-9.5) | 2.74 | 4.53 | -45.8 | 1 | 4 | -1 | 69 | 263.276 | 2 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| CDC7-1-E | Cell Division Cycle 7-related Protein Kinase (cluster #1 Of 1), Eukaryotic | Eukaryotes | 30 | 0.53 | Binding ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| CDC7_HUMAN | O00311 | Cell Division Cycle 7-related Protein Kinase, Human | 30 | 0.53 | Binding ≤ 1μM |
| CDC7_HUMAN | O00311 | Cell Division Cycle 7-related Protein Kinase, Human | 30 | 0.53 | Binding ≤ 10μM |
| Description | Species |
|---|---|
| Activation of ATR in response to replication stress | |
| Activation of the pre-replicative complex |
