| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA3561759
Max Phase: Preclinical
Molecular Formula: C24H23F4N3O2
Molecular Weight: 461.46
Molecule Type: Small molecule
Associated Items:
Representations
Canonical SMILES: C=CCNC1=NC(c2ccc(F)cc2)C(C(=O)OC)=C(C)N1Cc1ccccc1C(F)(F)F
Standard InChI: InChI=1S/C24H23F4N3O2/c1-4-13-29-23-30-21(16-9-11-18(25)12-10-16)20(22(32)33-3)15(2)31(23)14-17-7-5-6-8-19(17)24(26,27)28/h4-12,21H,1,13-14H2,2-3H3,(H,29,30)
Standard InChI Key: AEUPXVYDZOTPSY-UHFFFAOYSA-N
Associated Targets(non-human)
RNA-editing ligase 1, mitochondrial 130 Activities
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: 461.46 | Molecular Weight (Monoisotopic): 461.1726 | AlogP: 4.98 | #Rotatable Bonds: 6 |
| Polar Surface Area: 53.93 | Molecular Species: BASE | HBA: 5 | HBD: 1 |
| #RO5 Violations: 0 | HBA (Lipinski): 5 | HBD (Lipinski): 1 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: | CX Basic pKa: 9.95 | CX LogP: 5.08 | CX LogD: 2.90 |
| Aromatic Rings: 2 | Heavy Atoms: 33 | QED Weighted: 0.37 | Np Likeness Score: -1.14 |
References
| 1. PubChem BioAssay data set, |
Source
Source(1):