| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| March 2nd, 2006 | 21 | No |
Popular Name: BRD-A61186587-001-01-9 BRD-A61186587-001-01-9
Find On: PubMed — Wikipedia — Google
CAS Number: 21178-57-4
| 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) | 2.89 | -0.63 | -14.07 | 2 | 5 | 0 | 83 | 290.315 | 0 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Z80224-1-O | MCF7 (Breast Carcinoma Cells) (cluster #1 Of 14), Other | Other | 1300 | 0.39 | Functional ≤ 10μM |
| Z80466-1-O | SF268 (cluster #1 Of 4), Other | Other | 2500 | 0.37 | Functional ≤ 10μM |
| Z81024-1-O | NCI-H460 (Non-small Cell Lung Carcinoma) (cluster #1 Of 8), Other | Other | 1100 | 0.40 | Functional ≤ 10μM |
| Z81072-1-O | Jurkat (Acute Leukemic T-cells) (cluster #1 Of 10), Other | Other | 5500 | 0.35 | Functional ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Z81072 | Z81072 | Jurkat (Acute Leukemic T-cells) | 5500 | 0.35 | Functional ≤ 10μM |
| Z80224 | Z80224 | MCF7 (Breast Carcinoma Cells) | 1300 | 0.39 | Functional ≤ 10μM |
| Z81024 | Z81024 | NCI-H460 (Non-small Cell Lung Carcinoma) | 1100 | 0.40 | Functional ≤ 10μM |
| Z80466 | Z80466 | SF268 | 2500 | 0.37 | Functional ≤ 10μM |
