| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| September 25th, 2009 | 25 | No |
Popular Name: 9-hydroxy-4-(4-pyridyl)-6H-pyrrolo[3,4-c]carbazole-1,3-dione 9-hydroxy-4-(4-pyridyl)-6H-pyrro…
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) | 2.24 | 2.47 | -13.87 | 3 | 6 | 0 | 99 | 329.315 | 1 | ↓ |
| Lo Low (pH 4.5-6) | 2.24 | 2.93 | -46.46 | 4 | 6 | 1 | 100 | 330.323 | 1 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| CHK1-2-E | Serine/threonine-protein Kinase Chk1 (cluster #2 Of 2), Eukaryotic | Eukaryotes | 310 | 0.36 | Binding ≤ 10μM |
| WEE1-1-E | Serine/threonine-protein Kinase WEE1 (cluster #1 Of 1), Eukaryotic | Eukaryotes | 820 | 0.34 | Binding ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| CHK1_HUMAN | O14757 | Serine/threonine-protein Kinase Chk1, Human | 310 | 0.36 | Binding ≤ 1μM |
| WEE1_HUMAN | P30291 | Serine/threonine-protein Kinase WEE1, Human | 812.830516 | 0.34 | Binding ≤ 1μM |
| CHK1_HUMAN | O14757 | Serine/threonine-protein Kinase Chk1, Human | 310 | 0.36 | Binding ≤ 10μM |
| WEE1_HUMAN | P30291 | Serine/threonine-protein Kinase WEE1, Human | 812.830516 | 0.34 | Binding ≤ 10μM |
| Description | Species |
|---|---|
| Activation of ATR in response to replication stress | |
| Chk1/Chk2(Cds1) mediated inactivation of Cyclin B:Cdk1 complex | |
| Cyclin A/B1 associated events during G2/M transition | |
| Cyclin A:Cdk2-associated events at S phase entry | |
| Cyclin E associated events during G1/S transition | |
| Factors involved in megakaryocyte development and platelet production | |
| G2/M DNA damage checkpoint | |
| G2/M DNA replication checkpoint | |
| Polo-like kinase mediated events | |
| Signaling by SCF-KIT | |
| Ubiquitin Mediated Degradation of Phosphorylated Cdc25A |
