| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| July 6th, 2008 | 21 | No |
71963-77-4; Artemether (USAN/INN); D02483
artemetero; artemether; artemetherum
ARTEMETHER; CPD000469218; SAM001246799
Artemisininelactol methyl ether
| 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) | 3.40 | 5.25 | -6.37 | 0 | 5 | 0 | 46 | 298.379 | 1 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| ALOGPS_SOLUBILITY | 4.57e-01 g/l | DrugBank-approved |
| therap | antimalarial | MicroSource Spectrum |
| Indications | antimalerial | KeyOrganics Bioactives |
| PUBCHEM_PATENT_ID | EP0290959A2; EP0362810A1; EP0362810B1; EP0428773A1; EP0490250A2; EP0490250A3; EP0500823A1; EP0500823B1; EP0535719A2; EP0535719A3; EP0537947A1; EP0583439B1; EP0634996A1; EP0644764A1; EP0644764B1; EP0713877A1; EP0745066A1; EP0831806A1; EP0882037A1; EP096628 | IBM Patent Data |
| PUBCHEM_SUBSTANCE_COMMENT | NCC_SAMPLE_SUPPLIER : Sequoia Research Products Ltd.; NCC_SUPPLIER_STRUCTURE_ID : SRP07301a | NIH Clinical Collection via PubChem |
| PUBCHEM_SUBSTANCE_COMMENT | SAMPLE_SUPPLIER: Sequoia Research Products Ltd.; SUPPLIER_STRUCTURE_ID: SRP07301a | NIH Clinical Collection via PubChem |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Z50425-1-O | Plasmodium Falciparum (cluster #1 Of 22), Other | Other | 9 | 0.54 | Functional ≤ 10μM |
| Z50426-3-O | Plasmodium Falciparum (isolate K1 / Thailand) (cluster #3 Of 9), Other | Other | 3 | 0.57 | Functional ≤ 10μM |
| Z50472-2-O | Toxoplasma Gondii (cluster #2 Of 4), Other | Other | 310 | 0.43 | Functional ≤ 10μM |
| Z80482-1-O | SK-MEL-2 (Melanoma Cells) (cluster #1 Of 4), Other | Other | 7240 | 0.34 | Functional ≤ 10μM |
| Z80493-2-O | SK-OV-3 (Ovarian Carcinoma Cells) (cluster #2 Of 6), Other | Other | 8030 | 0.34 | Functional ≤ 10μM |
| Z80600-2-O | XF498 (Glioma Cells) (cluster #2 Of 2), Other | Other | 9100 | 0.34 | Functional ≤ 10μM |
| Z80682-6-O | A549 (Lung Carcinoma Cells) (cluster #6 Of 11), Other | Other | 8540 | 0.34 | Functional ≤ 10μM |
| Z81335-2-O | HCT-15 (Colon Adenocarcinoma Cells) (cluster #2 Of 5), Other | Other | 9660 | 0.33 | Functional ≤ 10μM |
| Z81338-3-O | T-cells (cluster #3 Of 3), Other | Other | 3820 | 0.36 | Functional ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Z80682 | Z80682 | A549 (Lung Carcinoma Cells) | 8540 | 0.34 | Functional ≤ 10μM |
| Z81335 | Z81335 | HCT-15 (Colon Adenocarcinoma Cells) | 9660 | 0.33 | Functional ≤ 10μM |
| Z50425 | Z50425 | Plasmodium Falciparum | 1.26 | 0.59 | Functional ≤ 10μM |
| Z50426 | Z50426 | Plasmodium Falciparum (isolate K1 / Thailand) | 1.26 | 0.59 | Functional ≤ 10μM |
| Z80482 | Z80482 | SK-MEL-2 (Melanoma Cells) | 7240 | 0.34 | Functional ≤ 10μM |
| Z80493 | Z80493 | SK-OV-3 (Ovarian Carcinoma Cells) | 8030 | 0.34 | Functional ≤ 10μM |
| Z81338 | Z81338 | T-cells | 3820 | 0.36 | Functional ≤ 10μM |
| Z50472 | Z50472 | Toxoplasma Gondii | 310 | 0.43 | Functional ≤ 10μM |
| Z80600 | Z80600 | XF498 (Glioma Cells) | 9100 | 0.34 | Functional ≤ 10μM |
