| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA3561454
Max Phase: Preclinical
Molecular Formula: C26H25F6N3O2
Molecular Weight: 525.49
Molecule Type: Small molecule
Associated Items:
Representations
Canonical SMILES: COC(=O)C1=C(C)N(Cc2cccc(C(F)(F)F)c2)C(NCC2CC2)=NC1c1ccccc1C(F)(F)F
Standard InChI: InChI=1S/C26H25F6N3O2/c1-15-21(23(36)37-2)22(19-8-3-4-9-20(19)26(30,31)32)34-24(33-13-16-10-11-16)35(15)14-17-6-5-7-18(12-17)25(27,28)29/h3-9,12,16,22H,10-11,13-14H2,1-2H3,(H,33,34)
Standard InChI Key: QPCNRKKLNWEPMN-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: 525.49 | Molecular Weight (Monoisotopic): 525.1851 | AlogP: 6.08 | #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: 10.10 | CX LogP: 5.86 | CX LogD: 3.63 |
| Aromatic Rings: 2 | Heavy Atoms: 37 | QED Weighted: 0.37 | Np Likeness Score: -1.03 |
References
| 1. PubChem BioAssay data set, |
Source
Source(1):