| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA1790015
Max Phase: Preclinical
Molecular Formula: C20H38I2N2
Molecular Weight: 306.54
Molecule Type: Small molecule
Associated Items:
Representations
Canonical SMILES: CC(C)(C#CCCCCC#CC(C)(C)[N+](C)(C)C)[N+](C)(C)C.[I-].[I-]
Standard InChI: InChI=1S/C20H38N2.2HI/c1-19(2,21(5,6)7)17-15-13-11-12-14-16-18-20(3,4)22(8,9)10;;/h11-14H2,1-10H3;2*1H/q+2;;/p-2
Standard InChI Key: KVJHNGALKDBNEA-UHFFFAOYSA-L
Associated Targets(Human)
Eukaryotic translation initiation factor 4H 242 Activities
Polyadenylate-binding protein 1 2615 Activities
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
Associated Targets(non-human)
Plasmodium falciparum 966862 Activities
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
Molecule Features
| Natural Product: No | Oral: No | Chemical Probe: No | Parenteral: No |
| Molecule Type: Small molecule | 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: 306.54 | Molecular Weight (Monoisotopic): 306.3024 | AlogP: 3.52 | #Rotatable Bonds: 5 |
| Polar Surface Area: 0.00 | Molecular Species: | HBA: 0 | HBD: 0 |
| #RO5 Violations: 0 | HBA (Lipinski): 2 | HBD (Lipinski): 0 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: | CX Basic pKa: | CX LogP: -4.00 | CX LogD: -4.00 |
| Aromatic Rings: 0 | Heavy Atoms: 22 | QED Weighted: 0.41 | Np Likeness Score: 0.32 |
References
| 1. PubChem BioAssay data set, |
Source
Source(1):