| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA5196562
Max Phase: Preclinical
Molecular Formula: C23H30N2O5
Molecular Weight: 414.50
Associated Items:
Representations
Canonical SMILES: COc1ccc(/C=N/N2C(=O)[C@H](C)[C@@H]3CC[C@@H](C)[C@@H]4CC[C@@]5(C)OO[C@]43[C@H]2O5)cc1
Standard InChI: InChI=1S/C23H30N2O5/c1-14-5-10-19-15(2)20(26)25(24-13-16-6-8-17(27-4)9-7-16)21-23(19)18(14)11-12-22(3,28-21)29-30-23/h6-9,13-15,18-19,21H,5,10-12H2,1-4H3/b24-13+/t14-,15-,18+,19+,21-,22-,23-/m1/s1
Standard InChI Key: JKQOBGQTGACJET-RZIPMTKBSA-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: 414.50 | Molecular Weight (Monoisotopic): 414.2155 | AlogP: 3.72 | #Rotatable Bonds: 3 |
| Polar Surface Area: 69.59 | Molecular Species: NEUTRAL | HBA: 6 | HBD: 0 |
| #RO5 Violations: 0 | HBA (Lipinski): 7 | HBD (Lipinski): 0 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: | CX Basic pKa: 1.46 | CX LogP: 4.37 | CX LogD: 4.37 |
| Aromatic Rings: 1 | Heavy Atoms: 30 | QED Weighted: 0.56 | Np Likeness Score: 1.45 |
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):