| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA5280548
Max Phase: Preclinical
Molecular Formula: C24H32FNO5
Molecular Weight: 433.52
Associated Items:
Representations
Canonical SMILES: C[C@@H]1CC[C@H]2[C@@H](C)C(CCC(=O)Nc3ccc(F)cc3)O[C@@H]3O[C@]4(C)CC[C@@H]1[C@]32OO4
Standard InChI: InChI=1S/C24H32FNO5/c1-14-4-9-19-15(2)20(10-11-21(27)26-17-7-5-16(25)6-8-17)28-22-24(19)18(14)12-13-23(3,29-22)30-31-24/h5-8,14-15,18-20,22H,4,9-13H2,1-3H3,(H,26,27)/t14-,15-,18+,19+,20?,22-,23+,24-/m1/s1
Standard InChI Key: FOACEKXBNDJEEQ-DUZVKYSWSA-N
Associated Targets(non-human)
Plasmodium berghei 192651 Activities
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 |
|---|
Properties
| Molecular Weight: 433.52 | Molecular Weight (Monoisotopic): 433.2265 | AlogP: 4.79 | #Rotatable Bonds: 4 |
| Polar Surface Area: 66.02 | Molecular Species: NEUTRAL | HBA: 5 | HBD: 1 |
| #RO5 Violations: 0 | HBA (Lipinski): 6 | HBD (Lipinski): 1 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: | CX Basic pKa: | CX LogP: 4.96 | CX LogD: 4.96 |
| Aromatic Rings: 1 | Heavy Atoms: 31 | QED Weighted: 0.69 | Np Likeness Score: 1.56 |
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):