| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| July 3rd, 2008 | 27 | No |
Popular Name: ARTESUNATE ARTESUNATE
Find On: PubMed — Wikipedia — Google
CAS Numbers: 182824-33-5 , 88495-63-0
88495-63-0; Arsumax (TN); Artesunate (USAN); Artesunic acid; D02482
| 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) | 2.75 | 7.73 | -53.19 | 0 | 8 | -1 | 103 | 383.417 | 5 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| therap | antimalarial | MicroSource Spectrum |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Z102013-1-O | Plasmodium Malariae (cluster #1 Of 2), Other | Other | 3 | 0.44 | Functional ≤ 10μM |
| Z102015-1-O | Plasmodium Vivax (cluster #1 Of 1), Other | Other | 8 | 0.42 | Functional ≤ 10μM |
| Z102116-2-O | Toxoplasma Gondii RH (cluster #2 Of 2), Other | Other | 213 | 0.35 | Functional ≤ 10μM |
| Z50425-1-O | Plasmodium Falciparum (cluster #1 Of 22), Other | Other | 8 | 0.42 | Functional ≤ 10μM |
| Z50426-3-O | Plasmodium Falciparum (isolate K1 / Thailand) (cluster #3 Of 9), Other | Other | 3 | 0.44 | Functional ≤ 10μM |
| Z80064-1-O | CCRF-CEM (T-cell Leukemia) (cluster #1 Of 9), Other | Other | 1800 | 0.30 | Functional ≤ 10μM |
| Z80672-1-O | ADR5000 Cell Line (cluster #1 Of 1), Other | Other | 1200 | 0.31 | Functional ≤ 10μM |
| Z81338-3-O | T-cells (cluster #3 Of 3), Other | Other | 4580 | 0.28 | Functional ≤ 10μM |
| Z80936-2-O | HEK293 (Embryonic Kidney Fibroblasts) (cluster #2 Of 4), Other | Other | 2900 | 0.29 | ADME/T ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Z80672 | Z80672 | ADR5000 Cell Line | 1200 | 0.31 | Functional ≤ 10μM |
| Z80064 | Z80064 | CCRF-CEM (T-cell Leukemia) | 1800 | 0.30 | Functional ≤ 10μM |
| Z50425 | Z50425 | Plasmodium Falciparum | 0.68 | 0.48 | Functional ≤ 10μM |
| Z50426 | Z50426 | Plasmodium Falciparum (isolate K1 / Thailand) | 1 | 0.47 | Functional ≤ 10μM |
| Z102013 | Z102013 | Plasmodium Malariae | 1.77 | 0.45 | Functional ≤ 10μM |
| Z102015 | Z102015 | Plasmodium Vivax | 0.39 | 0.49 | Functional ≤ 10μM |
| Z81338 | Z81338 | T-cells | 4580 | 0.28 | Functional ≤ 10μM |
| Z102116 | Z102116 | Toxoplasma Gondii RH | 213 | 0.35 | Functional ≤ 10μM |
| Z80936 | Z80936 | HEK293 (Embryonic Kidney Fibroblasts) | 2900 | 0.29 | ADME/T ≤ 10μM |
