| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 2nd, 2008 | 15 | Yes |
Popular Name: N1-(7-Chloroquinolin-4-yl)ethane-1,2-diamine N1-(7-Chloroquinolin-4-yl)ethane…
Find On: PubMed — Wikipedia — Google
CAS Numbers: , 5407-57-8 , [163620-24-4] , [5407-57-8]
1,2-ethanediamine, N-(7-chloro-4-quinolinyl)-
1,2-Ethanediamine, N1-(7-chloro-4-quinolinyl)-
4-(2-AMINOETHYL)AMINO-7-CHLOROQUINOLINE
| 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) | 1.49 | 2.81 | -100.65 | 5 | 3 | 2 | 54 | 223.707 | 3 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Z50425-3-O | Plasmodium Falciparum (cluster #3 Of 22), Other | Other | 92 | 0.66 | Functional ≤ 10μM |
| Z50468-2-O | Giardia Intestinalis (cluster #2 Of 4), Other | Other | 1253 | 0.55 | Functional ≤ 10μM |
| Z81247-1-O | HeLa (Cervical Adenocarcinoma Cells) (cluster #1 Of 9), Other | Other | 7220 | 0.48 | Functional ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Z50468 | Z50468 | Giardia Intestinalis | 1253 | 0.55 | Functional ≤ 10μM |
| Z81247 | Z81247 | HeLa (Cervical Adenocarcinoma Cells) | 7220 | 0.48 | Functional ≤ 10μM |
| Z50425 | Z50425 | Plasmodium Falciparum | 155 | 0.64 | Functional ≤ 10μM |
