| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA5286546
Max Phase: Preclinical
Molecular Formula: C19H23N3O
Molecular Weight: 309.41
Associated Items:
Representations
Canonical SMILES: NC(=O)c1cccc(-c2ccccc2NCC2CCNCC2)c1
Standard InChI: InChI=1S/C19H23N3O/c20-19(23)16-5-3-4-15(12-16)17-6-1-2-7-18(17)22-13-14-8-10-21-11-9-14/h1-7,12,14,21-22H,8-11,13H2,(H2,20,23)
Standard InChI Key: GZSDAZQYMDAPAW-UHFFFAOYSA-N
Associated Targets(Human)
Keratinocyte 44 Activities
Molecule Features
| Natural Product: No | Oral: No | Chemical Probe: No | Parenteral: No |
| Molecule Type: | 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: 309.41 | Molecular Weight (Monoisotopic): 309.1841 | AlogP: 2.86 | #Rotatable Bonds: 5 |
| Polar Surface Area: 67.15 | Molecular Species: BASE | HBA: 3 | HBD: 3 |
| #RO5 Violations: 0 | HBA (Lipinski): 4 | HBD (Lipinski): 4 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: | CX Basic pKa: 10.35 | CX LogP: 2.05 | CX LogD: -0.73 |
| Aromatic Rings: 2 | Heavy Atoms: 23 | QED Weighted: 0.80 | Np Likeness Score: -0.74 |
References
| 1. Mokhtarpour N, Sterling A, Garcia JJ, Gutierrez-Rivera L, Senevirathne P, Luisa Kadekaro A, Merino EJ.. (2023) Identification of a Noxo1 inhibitor by addition of a polyethylene glycol chain., 85 [PMID:37031566] [10.1016/j.bmc.2023.117274] |
Source
Source(1):