| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA3561222
Max Phase: Preclinical
Molecular Formula: C17H23N3O6S
Molecular Weight: 397.45
Molecule Type: Small molecule
Associated Items:
Representations
Canonical SMILES: COCCCNC(=O)C1CCN(S(=O)(=O)c2ccc3[nH]c(=O)oc3c2)CC1
Standard InChI: InChI=1S/C17H23N3O6S/c1-25-10-2-7-18-16(21)12-5-8-20(9-6-12)27(23,24)13-3-4-14-15(11-13)26-17(22)19-14/h3-4,11-12H,2,5-10H2,1H3,(H,18,21)(H,19,22)
Standard InChI Key: NZDUWNZFQFPOQD-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: 397.45 | Molecular Weight (Monoisotopic): 397.1308 | AlogP: 0.67 | #Rotatable Bonds: 7 |
| Polar Surface Area: 121.71 | Molecular Species: NEUTRAL | HBA: 6 | HBD: 2 |
| #RO5 Violations: 0 | HBA (Lipinski): 9 | HBD (Lipinski): 2 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: 9.23 | CX Basic pKa: | CX LogP: -0.11 | CX LogD: -0.12 |
| Aromatic Rings: 2 | Heavy Atoms: 27 | QED Weighted: 0.66 | Np Likeness Score: -1.75 |
References
| 1. PubChem BioAssay data set, |
Source
Source(1):