| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA2362801
Max Phase: Preclinical
Molecular Formula: C17H15ClFNO3
Molecular Weight: 335.76
Molecule Type: Small molecule
Associated Items:
Representations
Canonical SMILES: O=C(COC(=O)Cc1ccccc1F)NCc1ccccc1Cl
Standard InChI: InChI=1S/C17H15ClFNO3/c18-14-7-3-1-6-13(14)10-20-16(21)11-23-17(22)9-12-5-2-4-8-15(12)19/h1-8H,9-11H2,(H,20,21)
Standard InChI Key: QZCNDOOBDUDLFL-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: 335.76 | Molecular Weight (Monoisotopic): 335.0724 | AlogP: 2.88 | #Rotatable Bonds: 6 |
| Polar Surface Area: 55.40 | Molecular Species: NEUTRAL | HBA: 3 | HBD: 1 |
| #RO5 Violations: 0 | HBA (Lipinski): 4 | HBD (Lipinski): 1 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: 13.04 | CX Basic pKa: | CX LogP: 3.12 | CX LogD: 3.12 |
| Aromatic Rings: 2 | Heavy Atoms: 23 | QED Weighted: 0.83 | Np Likeness Score: -1.91 |
References
| 1. PubChem BioAssay data set, |
Source
Source(1):