| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA2362922
Max Phase: Preclinical
Molecular Formula: C16H17NO3S
Molecular Weight: 303.38
Molecule Type: Small molecule
Associated Items:
Representations
Canonical SMILES: CC1(C(=O)O)CCCN(C(=O)c2cc3ccccc3s2)C1
Standard InChI: InChI=1S/C16H17NO3S/c1-16(15(19)20)7-4-8-17(10-16)14(18)13-9-11-5-2-3-6-12(11)21-13/h2-3,5-6,9H,4,7-8,10H2,1H3,(H,19,20)
Standard InChI Key: SMNONNDAQGSSOY-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: 303.38 | Molecular Weight (Monoisotopic): 303.0929 | AlogP: 3.23 | #Rotatable Bonds: 2 |
| Polar Surface Area: 57.61 | Molecular Species: ACID | HBA: 3 | HBD: 1 |
| #RO5 Violations: 0 | HBA (Lipinski): 4 | HBD (Lipinski): 1 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: 4.59 | CX Basic pKa: | CX LogP: 3.06 | CX LogD: 0.33 |
| Aromatic Rings: 2 | Heavy Atoms: 21 | QED Weighted: 0.93 | Np Likeness Score: -0.82 |
References
| 1. PubChem BioAssay data set, |
Source
Source(1):