| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
Arteether
ID: ALA5289561
Chembl Id: CHEMBL5289561
Max Phase: Preclinical
Molecular Formula: C18H30O4
Molecular Weight: 310.43
Associated Items:
Names and Identifiers
Canonical SMILES: CCOC1C[C@@H]2O[C@]3(C)CC[C@H]4[C@H](C)CC[C@@H]([C@H]1C)[C@@]24OO3
Standard InChI: InChI=1S/C18H30O4/c1-5-19-15-10-16-18-13(8-9-17(4,20-16)21-22-18)11(2)6-7-14(18)12(15)3/h11-16H,5-10H2,1-4H3/t11-,12-,13+,14+,15?,16+,17+,18-/m1/s1
Standard InChI Key: ILOWSWZJABAGID-AIRZCXCVSA-N
Alternative Forms
Associated Targets(non-human)
Plasmodium berghei (192651 Activities)
Plasmodium falciparum (966862 Activities)
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
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Plasmodium chabaudi (121 Activities)
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
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Molecule Features
| Natural Product: No | Oral: No | Chemical Probe: No | Parenteral: No |
| Molecule Type: | Topical: No | First In Class: No | Black Box: No |
| Chirality: No | Availability: No | Prodrug: No |
Drug Indications
| MESH ID | MESH Heading | EFO IDs | EFO Terms | Max Phase for Indication | References |
|---|
Mechanisms of Action
| Mechanism of Action | Action Type | target ID | Target Name | Target Type | Target Organism | Binding Site Name | References |
|---|
Calculated Properties
| Molecular Weight: 310.43 | Molecular Weight (Monoisotopic): 310.2144 | AlogP: 3.69 | #Rotatable Bonds: 2 |
| Polar Surface Area: 36.92 | Molecular Species: NEUTRAL | HBA: 4 | HBD: ┄ |
| #RO5 Violations: ┄ | HBA (Lipinski): 4 | HBD (Lipinski): ┄ | #RO5 Violations (Lipinski): ┄ |
| CX Acidic pKa: ┄ | CX Basic pKa: ┄ | CX LogP: 3.53 | CX LogD: 3.53 |
| Aromatic Rings: ┄ | Heavy Atoms: 22 | QED Weighted: 0.73 | Np Likeness Score: 3.00 |
References
| 1. Sharma B, Singh P, Singh AK, Awasthi SK.. (2021) Advancement of chimeric hybrid drugs to cure malaria infection: An overview with special emphasis on endoperoxide pharmacophores., 219 [PMID:33989911] [10.1016/j.ejmech.2021.113408] |
Source
Source(1):