| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA2362707
Max Phase: Preclinical
Molecular Formula: C17H19N3O7
Molecular Weight: 377.35
Molecule Type: Small molecule
Associated Items:
Representations
Canonical SMILES: CC(C)(C)OC(=O)NCCc1onc(-c2ccc([N+](=O)[O-])cc2)c1C(=O)O
Standard InChI: InChI=1S/C17H19N3O7/c1-17(2,3)26-16(23)18-9-8-12-13(15(21)22)14(19-27-12)10-4-6-11(7-5-10)20(24)25/h4-7H,8-9H2,1-3H3,(H,18,23)(H,21,22)
Standard InChI Key: OAHZUIDVFHSSDG-UHFFFAOYSA-N
Associated Targets(Human)
TAR DNA-binding protein 43 40113 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: 377.35 | Molecular Weight (Monoisotopic): 377.1223 | AlogP: 3.02 | #Rotatable Bonds: 6 |
| Polar Surface Area: 144.80 | Molecular Species: ACID | HBA: 7 | HBD: 2 |
| #RO5 Violations: 0 | HBA (Lipinski): 10 | HBD (Lipinski): 2 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: 3.22 | CX Basic pKa: | CX LogP: 2.57 | CX LogD: -0.88 |
| Aromatic Rings: 2 | Heavy Atoms: 27 | QED Weighted: 0.58 | Np Likeness Score: -1.04 |
References
| 1. PubChem BioAssay data set, |
Source
Source(1):