| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA2362966
Max Phase: Preclinical
Molecular Formula: C18H14FNO3S
Molecular Weight: 343.38
Molecule Type: Small molecule
Associated Items:
Representations
Canonical SMILES: CC(O)(c1cccc(F)c1)c1nc(-c2cccc(C(=O)O)c2)cs1
Standard InChI: InChI=1S/C18H14FNO3S/c1-18(23,13-6-3-7-14(19)9-13)17-20-15(10-24-17)11-4-2-5-12(8-11)16(21)22/h2-10,23H,1H3,(H,21,22)
Standard InChI Key: VETSTSUPQJKUKO-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: 343.38 | Molecular Weight (Monoisotopic): 343.0678 | AlogP: 3.90 | #Rotatable Bonds: 4 |
| Polar Surface Area: 70.42 | Molecular Species: ACID | HBA: 4 | HBD: 2 |
| #RO5 Violations: 0 | HBA (Lipinski): 4 | HBD (Lipinski): 2 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: 3.95 | CX Basic pKa: 0.65 | CX LogP: 4.00 | CX LogD: 0.82 |
| Aromatic Rings: 3 | Heavy Atoms: 24 | QED Weighted: 0.75 | Np Likeness Score: -1.13 |
References
| 1. PubChem BioAssay data set, |
Source
Source(1):