| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| July 28th, 2004 | 18 | Yes |
480-26-2; C09142; Cryptolepine
5H-Quindoline, 5-methyl-; CCRIS 9019; Cryptolepine; LS-186085
| 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) | 3.86 | 0.21 | -16.41 | 0 | 2 | 0 | 17 | 232.286 | 0 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Z50418-1-O | Trypanosoma Brucei (cluster #1 Of 6), Other | Other | 3000 | 0.43 | Functional ≤ 10μM |
| Z50425-3-O | Plasmodium Falciparum (cluster #3 Of 22), Other | Other | 755 | 0.48 | Functional ≤ 10μM |
| Z50426-9-O | Plasmodium Falciparum (isolate K1 / Thailand) (cluster #9 Of 9), Other | Other | 440 | 0.49 | Functional ≤ 10μM |
| Z50459-8-O | Leishmania Donovani (cluster #8 Of 8), Other | Other | 2680 | 0.43 | Functional ≤ 10μM |
| Z50466-2-O | Trypanosoma Cruzi (cluster #2 Of 8), Other | Other | 220 | 0.52 | Functional ≤ 10μM |
| Z50725-7-O | Trypanosoma Brucei Rhodesiense (cluster #7 Of 7), Other | Other | 600 | 0.48 | Functional ≤ 10μM |
| Z80291-2-O | MRC5 (Embryonic Lung Fibroblast Cells) (cluster #2 Of 3), Other | Other | 1500 | 0.45 | Functional ≤ 10μM |
| Z80695-2-O | BE (Colon Adenocarcinoma Cells) (cluster #2 Of 2), Other | Other | 1280 | 0.46 | Functional ≤ 10μM |
| Z81240-1-O | MAC15A (Colon Adenocarcinoma Cells) (cluster #1 Of 1), Other | Other | 3950 | 0.42 | Functional ≤ 10μM |
| Z80583-3-O | Vero (Kidney Cells) (cluster #3 Of 3), Other | Other | 1050 | 0.47 | ADME/T ≤ 10μM |
| Z81057-4-O | HUVEC (Umbilical Vein Endothelial Cells) (cluster #4 Of 5), Other | Other | 1180 | 0.46 | ADME/T ≤ 10μM |
| Z81135-5-O | L6 (Skeletal Muscle Myoblast Cells) (cluster #5 Of 6), Other | Other | 1120 | 0.46 | ADME/T ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Z80695 | Z80695 | BE (Colon Adenocarcinoma Cells) | 1280 | 0.46 | Functional ≤ 10μM |
| Z50459 | Z50459 | Leishmania Donovani | 2680 | 0.43 | Functional ≤ 10μM |
| Z81240 | Z81240 | MAC15A (Colon Adenocarcinoma Cells) | 3950 | 0.42 | Functional ≤ 10μM |
| Z80291 | Z80291 | MRC5 (Embryonic Lung Fibroblast Cells) | 1500 | 0.45 | Functional ≤ 10μM |
| Z50425 | Z50425 | Plasmodium Falciparum | 2000 | 0.44 | Functional ≤ 10μM |
| Z50426 | Z50426 | Plasmodium Falciparum (isolate K1 / Thailand) | 120 | 0.54 | Functional ≤ 10μM |
| Z50418 | Z50418 | Trypanosoma Brucei | 3000 | 0.43 | Functional ≤ 10μM |
| Z50725 | Z50725 | Trypanosoma Brucei Rhodesiense | 600 | 0.48 | Functional ≤ 10μM |
| Z50466 | Z50466 | Trypanosoma Cruzi | 220 | 0.52 | Functional ≤ 10μM |
| Z81057 | Z81057 | HUVEC (Umbilical Vein Endothelial Cells) | 1180 | 0.46 | ADME/T ≤ 10μM |
| Z81135 | Z81135 | L6 (Skeletal Muscle Myoblast Cells) | 1120 | 0.46 | ADME/T ≤ 10μM |
| Z80583 | Z80583 | Vero (Kidney Cells) | 1050 | 0.47 | ADME/T ≤ 10μM |
No pre-computed analogs available. Try a structural similarity search.