| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA2362616
Max Phase: Preclinical
Molecular Formula: C19H24ClNO3
Molecular Weight: 349.86
Molecule Type: Small molecule
Associated Items:
Representations
Canonical SMILES: CC1(C(=O)O)CCCN(C(=O)C2(c3ccc(Cl)cc3)CCCC2)C1
Standard InChI: InChI=1S/C19H24ClNO3/c1-18(17(23)24)9-4-12-21(13-18)16(22)19(10-2-3-11-19)14-5-7-15(20)8-6-14/h5-8H,2-4,9-13H2,1H3,(H,23,24)
Standard InChI Key: ARMUJRANUXUGPD-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: 349.86 | Molecular Weight (Monoisotopic): 349.1445 | AlogP: 3.87 | #Rotatable Bonds: 3 |
| Polar Surface Area: 57.61 | Molecular Species: ACID | HBA: 2 | HBD: 1 |
| #RO5 Violations: 0 | HBA (Lipinski): 4 | HBD (Lipinski): 1 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: 4.35 | CX Basic pKa: | CX LogP: 4.16 | CX LogD: 1.24 |
| Aromatic Rings: 1 | Heavy Atoms: 24 | QED Weighted: 0.90 | Np Likeness Score: -0.39 |
References
| 1. PubChem BioAssay data set, |
Source
Source(1):