| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| February 5th, 2006 | 23 | Yes |
Popular Name: 1-chloro-N-(2-dimethylaminoethyl)acridine-4-carboxamide 1-chloro-N-(2-dimethylaminoethyl…
| 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) | 3.27 | -0.66 | -50.22 | 2 | 4 | 1 | 46 | 328.823 | 4 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Z80017-2-O | A2780cisR (Cisplatin-resistant Ovarian Carcinoma Cells) (cluster #2 Of 2), Other | Other | 2040 | 0.35 | Functional ≤ 10μM |
| Z80152-1-O | HCT-8 (Ileocecal Adenocarcinoma) (cluster #1 Of 2), Other | Other | 370 | 0.39 | Functional ≤ 10μM |
| Z80166-4-O | HT-29 (Colon Adenocarcinoma Cells) (cluster #4 Of 12), Other | Other | 790 | 0.37 | Functional ≤ 10μM |
| Z80193-2-O | L1210 (Lymphocytic Leukemia Cells) (cluster #2 Of 12), Other | Other | 33 | 0.46 | Functional ≤ 10μM |
| Z80493-1-O | SK-OV-3 (Ovarian Carcinoma Cells) (cluster #1 Of 6), Other | Other | 3300 | 0.33 | Functional ≤ 10μM |
| Z80768-1-O | CH1 (Ovarian Carcinoma Cells) (cluster #1 Of 1), Other | Other | 1900 | 0.35 | Functional ≤ 10μM |
| Z81034-6-O | A2780 (Ovarian Carcinoma Cells) (cluster #6 Of 10), Other | Other | 2050 | 0.35 | Functional ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Z81034 | Z81034 | A2780 (Ovarian Carcinoma Cells) | 2050 | 0.35 | Functional ≤ 10μM |
| Z80017 | Z80017 | A2780cisR (Cisplatin-resistant Ovarian Carcinoma Cells) | 2040 | 0.35 | Functional ≤ 10μM |
| Z80768 | Z80768 | CH1 (Ovarian Carcinoma Cells) | 1750 | 0.35 | Functional ≤ 10μM |
| Z80152 | Z80152 | HCT-8 (Ileocecal Adenocarcinoma) | 370 | 0.39 | Functional ≤ 10μM |
| Z80166 | Z80166 | HT-29 (Colon Adenocarcinoma Cells) | 790 | 0.37 | Functional ≤ 10μM |
| Z80193 | Z80193 | L1210 (Lymphocytic Leukemia Cells) | 33 | 0.46 | Functional ≤ 10μM |
| Z80493 | Z80493 | SK-OV-3 (Ovarian Carcinoma Cells) | 3300 | 0.33 | Functional ≤ 10μM |
