| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA2362674
Max Phase: Preclinical
Molecular Formula: C20H25NO5
Molecular Weight: 359.42
Molecule Type: Small molecule
Associated Items:
Representations
Canonical SMILES: COc1cccc(-c2oc3c(c2C(=O)OCCN(C)C)C(O)CCC3)c1
Standard InChI: InChI=1S/C20H25NO5/c1-21(2)10-11-25-20(23)18-17-15(22)8-5-9-16(17)26-19(18)13-6-4-7-14(12-13)24-3/h4,6-7,12,15,22H,5,8-11H2,1-3H3
Standard InChI Key: YGPFOCHNQHDEHJ-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: 359.42 | Molecular Weight (Monoisotopic): 359.1733 | AlogP: 3.04 | #Rotatable Bonds: 6 |
| Polar Surface Area: 72.14 | Molecular Species: NEUTRAL | HBA: 6 | HBD: 1 |
| #RO5 Violations: 0 | HBA (Lipinski): 6 | HBD (Lipinski): 1 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: 13.82 | CX Basic pKa: 8.42 | CX LogP: 2.53 | CX LogD: 1.47 |
| Aromatic Rings: 2 | Heavy Atoms: 26 | QED Weighted: 0.80 | Np Likeness Score: 0.06 |
References
| 1. PubChem BioAssay data set, |
Source
Source(1):