| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA5191986
Max Phase: Preclinical
Molecular Formula: C21H32N2O4
Molecular Weight: 376.50
Associated Items:
Representations
Canonical SMILES: C[C@@H]1CC[C@H]2[C@@H](C)C(=O)N(N=C3CCCCC3)[C@@H]3O[C@@]4(C)CC[C@@H]1[C@@]23OO4
Standard InChI: InChI=1S/C21H32N2O4/c1-13-9-10-17-14(2)18(24)23(22-15-7-5-4-6-8-15)19-21(17)16(13)11-12-20(3,25-19)26-27-21/h13-14,16-17,19H,4-12H2,1-3H3/t13-,14-,16+,17+,19-,20-,21-/m1/s1
Standard InChI Key: MUOHEFZPFVEKIU-ZYWYLMGOSA-N
Associated Targets(non-human)
Plasmodium yoelii nigeriensis 1119 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: 376.50 | Molecular Weight (Monoisotopic): 376.2362 | AlogP: 4.00 | #Rotatable Bonds: 1 |
| Polar Surface Area: 60.36 | Molecular Species: NEUTRAL | HBA: 5 | HBD: 0 |
| #RO5 Violations: 0 | HBA (Lipinski): 6 | HBD (Lipinski): 0 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: | CX Basic pKa: 1.24 | CX LogP: 4.33 | CX LogD: 4.33 |
| Aromatic Rings: 0 | Heavy Atoms: 27 | QED Weighted: 0.65 | Np Likeness Score: 1.87 |
References
| 1. Karnatak M, Hassam M, Singh AS, Yadav DK, Singh C, Puri SK, Verma VP.. (2022) Novel hydrazone derivatives of N-amino-11-azaartemisinin with high order of antimalarial activity against multidrug-resistant Plasmodium yoelii nigeriensis in Swiss mice via intramuscular route., 58 [PMID:34974111] [10.1016/j.bmcl.2021.128522] |
Source
Source(1):