| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| August 23rd, 2008 | 19 | Yes |
Popular Name: 4-(6-chloro-3H-imidazo[5,4-b]pyridin-2-yl)-N,N-dimethyl-aniline 4-(6-chloro-3H-imidazo[5,4-b]pyr…
| 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) | 3.57 | 7.17 | -10.84 | 1 | 4 | 0 | 45 | 272.739 | 2 | ↓ |
| Hi High (pH 8-9.5) | 3.57 | 6.75 | -41.88 | 0 | 4 | -1 | 43 | 271.731 | 2 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| AURKA-2-E | Serine/threonine-protein Kinase Aurora-A (cluster #2 Of 3), Eukaryotic | Eukaryotes | 570 | 0.46 | Binding ≤ 10μM |
| Z80928-2-O | HCT-116 (Colon Carcinoma Cells) (cluster #2 Of 9), Other | Other | 4710 | 0.39 | Functional ≤ 10μM |
| Z81020-5-O | HepG2 (Hepatoblastoma Cells) (cluster #5 Of 8), Other | Other | 5850 | 0.39 | Functional ≤ 10μM |
| Z81034-6-O | A2780 (Ovarian Carcinoma Cells) (cluster #6 Of 10), Other | Other | 4260 | 0.40 | Functional ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| AURKA_HUMAN | O14965 | Serine/threonine-protein Kinase Aurora-A, Human | 570 | 0.46 | Binding ≤ 1μM |
| AURKA_HUMAN | O14965 | Serine/threonine-protein Kinase Aurora-A, Human | 4970 | 0.39 | Binding ≤ 10μM |
| Z81034 | Z81034 | A2780 (Ovarian Carcinoma Cells) | 4260 | 0.40 | Functional ≤ 10μM |
| Z80928 | Z80928 | HCT-116 (Colon Carcinoma Cells) | 4710 | 0.39 | Functional ≤ 10μM |
| Z81020 | Z81020 | HepG2 (Hepatoblastoma Cells) | 5850 | 0.39 | Functional ≤ 10μM |
| Description | Species |
|---|---|
| APC/C:Cdh1 mediated degradation of Cdc20 and other APC/C:Cdh1 targeted proteins | |
| Regulation of PLK1 Activity at G2/M Transition |
