| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| March 9th, 2009 | 16 | Yes |
Popular Name: 8-Chloro-3-methyl-2H-pyrazolo[4,3-c]quinolin-4(5H)-one 8-Chloro-3-methyl-2H-pyrazolo[4,…
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CAS Number: 848818-35-9
| 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) | 1.93 | 3.38 | -12.49 | 2 | 4 | 0 | 62 | 233.658 | 0 | ↓ |
| Mid Mid (pH 6-8) | 2.84 | 2.33 | -41.46 | 1 | 4 | -1 | 65 | 232.65 | 0 | ↓ |
| 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 | 40 | 0.65 | Binding ≤ 10μM |
| Z80877-1-O | NCI-H1299 (Non-small Cell Lung Carcinoma) (cluster #1 Of 2), Other | Other | 2980 | 0.48 | Functional ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| CHK1_HUMAN | O14757 | Serine/threonine-protein Kinase Chk1, Human | 40 | 0.65 | Binding ≤ 1μM |
| CHK1_HUMAN | O14757 | Serine/threonine-protein Kinase Chk1, Human | 40 | 0.65 | Binding ≤ 10μM |
| Z80877 | Z80877 | NCI-H1299 (Non-small Cell Lung Carcinoma) | 2980 | 0.48 | Functional ≤ 10μM |
| Description | Species |
|---|---|
| Activation of ATR in response to replication stress | |
| Chk1/Chk2(Cds1) mediated inactivation of Cyclin B:Cdk1 complex | |
| G2/M DNA damage checkpoint | |
| Signaling by SCF-KIT | |
| Ubiquitin Mediated Degradation of Phosphorylated Cdc25A |
No pre-computed analogs available. Try a structural similarity search.