| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 4th, 2005 | 20 | No |
Popular Name: N-[2-(Dimethylamino)ethyl]-1,8-naphthalimide N-[2-(Dimethylamino)ethyl]-1,8-n…
Find On: PubMed — Wikipedia — Google
CAS Number: 79070-66-9
| 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) | 2.09 | 1.59 | -34.58 | 1 | 4 | 1 | 43 | 269.324 | 3 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Z80166-1-O | HT-29 (Colon Adenocarcinoma Cells) (cluster #1 Of 12), Other | Other | 7200 | 0.36 | Functional ≤ 10μM |
| Z80193-2-O | L1210 (Lymphocytic Leukemia Cells) (cluster #2 Of 12), Other | Other | 1600 | 0.41 | Functional ≤ 10μM |
| Z80211-2-O | LoVo (Colon Adenocarcinoma Cells) (cluster #2 Of 5), Other | Other | 4700 | 0.37 | Functional ≤ 10μM |
| Z80224-1-O | MCF7 (Breast Carcinoma Cells) (cluster #1 Of 14), Other | Other | 4500 | 0.37 | Functional ≤ 10μM |
| Z80682-7-O | A549 (Lung Carcinoma Cells) (cluster #7 Of 11), Other | Other | 5600 | 0.37 | Functional ≤ 10μM |
| Z81335-1-O | HCT-15 (Colon Adenocarcinoma Cells) (cluster #1 Of 5), Other | Other | 9200 | 0.35 | Functional ≤ 10μM |
| Z80166-2-O | HT-29 (Colon Adenocarcinoma Cells) (cluster #2 Of 2), Other | Other | 5050 | 0.37 | ADME/T ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Z80682 | Z80682 | A549 (Lung Carcinoma Cells) | 5600 | 0.37 | Functional ≤ 10μM |
| Z81335 | Z81335 | HCT-15 (Colon Adenocarcinoma Cells) | 9200 | 0.35 | Functional ≤ 10μM |
| Z80166 | Z80166 | HT-29 (Colon Adenocarcinoma Cells) | 3500 | 0.38 | Functional ≤ 10μM |
| Z80193 | Z80193 | L1210 (Lymphocytic Leukemia Cells) | 1600 | 0.41 | Functional ≤ 10μM |
| Z80211 | Z80211 | LoVo (Colon Adenocarcinoma Cells) | 4700 | 0.37 | Functional ≤ 10μM |
| Z80224 | Z80224 | MCF7 (Breast Carcinoma Cells) | 10000 | 0.35 | Functional ≤ 10μM |
| Z80166 | Z80166 | HT-29 (Colon Adenocarcinoma Cells) | 5050 | 0.37 | ADME/T ≤ 10μM |
