| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA3561494
Max Phase: Preclinical
Molecular Formula: C25H23F6N3O2
Molecular Weight: 511.47
Molecule Type: Small molecule
Associated Items:
Representations
Canonical SMILES: C=CCNC1=NC(c2ccccc2C(F)(F)F)C(C(=O)OC)=C(C)N1Cc1cccc(C(F)(F)F)c1
Standard InChI: InChI=1S/C25H23F6N3O2/c1-4-12-32-23-33-21(18-10-5-6-11-19(18)25(29,30)31)20(22(35)36-3)15(2)34(23)14-16-8-7-9-17(13-16)24(26,27)28/h4-11,13,21H,1,12,14H2,2-3H3,(H,32,33)
Standard InChI Key: KUIPQLBPKMOPTI-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: 511.47 | Molecular Weight (Monoisotopic): 511.1694 | AlogP: 5.86 | #Rotatable Bonds: 6 |
| Polar Surface Area: 53.93 | Molecular Species: BASE | HBA: 5 | HBD: 1 |
| #RO5 Violations: 2 | HBA (Lipinski): 5 | HBD (Lipinski): 1 | #RO5 Violations (Lipinski): 2 |
| CX Acidic pKa: | CX Basic pKa: 9.82 | CX LogP: 5.82 | CX LogD: 3.70 |
| Aromatic Rings: 2 | Heavy Atoms: 36 | QED Weighted: 0.30 | Np Likeness Score: -1.09 |
References
| 1. PubChem BioAssay data set, |
Source
Source(1):