| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA3561372
Max Phase: Preclinical
Molecular Formula: C30H25F6N3O4
Molecular Weight: 605.54
Molecule Type: Small molecule
Associated Items:
Representations
Canonical SMILES: COC(=O)C1=C(C)N(Cc2ccc(C(F)(F)F)cc2)C(NCc2ccc3c(c2)OCO3)=NC1c1ccccc1C(F)(F)F
Standard InChI: InChI=1S/C30H25F6N3O4/c1-17-25(27(40)41-2)26(21-5-3-4-6-22(21)30(34,35)36)38-28(37-14-19-9-12-23-24(13-19)43-16-42-23)39(17)15-18-7-10-20(11-8-18)29(31,32)33/h3-13,26H,14-16H2,1-2H3,(H,37,38)
Standard InChI Key: LTSQHYWUUUZZJC-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: 605.54 | Molecular Weight (Monoisotopic): 605.1749 | AlogP: 6.60 | #Rotatable Bonds: 6 |
| Polar Surface Area: 72.39 | Molecular Species: BASE | HBA: 7 | HBD: 1 |
| #RO5 Violations: 2 | HBA (Lipinski): 7 | HBD (Lipinski): 1 | #RO5 Violations (Lipinski): 2 |
| CX Acidic pKa: | CX Basic pKa: 9.74 | CX LogP: 6.43 | CX LogD: 4.35 |
| Aromatic Rings: 3 | Heavy Atoms: 43 | QED Weighted: 0.25 | Np Likeness Score: -0.79 |
References
| 1. PubChem BioAssay data set, |
Source
Source(1):