| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA3561782
Max Phase: Preclinical
Molecular Formula: C30H30F3N3O2
Molecular Weight: 521.58
Molecule Type: Small molecule
Associated Items:
Representations
Canonical SMILES: COC(=O)C1=C(C)N(Cc2ccccc2C(F)(F)F)C(NCc2ccccc2)=NC1CCc1ccccc1
Standard InChI: InChI=1S/C30H30F3N3O2/c1-21-27(28(37)38-2)26(18-17-22-11-5-3-6-12-22)35-29(34-19-23-13-7-4-8-14-23)36(21)20-24-15-9-10-16-25(24)30(31,32)33/h3-16,26H,17-20H2,1-2H3,(H,34,35)
Standard InChI Key: WURDPAAKPUIYKI-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: 521.58 | Molecular Weight (Monoisotopic): 521.2290 | AlogP: 6.12 | #Rotatable Bonds: 8 |
| 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: 10.41 | CX LogP: 6.66 | CX LogD: 4.35 |
| Aromatic Rings: 3 | Heavy Atoms: 38 | QED Weighted: 0.36 | Np Likeness Score: -0.74 |
References
| 1. PubChem BioAssay data set, |
Source
Source(1):