| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA3697007
Max Phase: Preclinical
Molecular Formula: C20H21N3O5
Molecular Weight: 383.40
Molecule Type: Small molecule
Associated Items:
Representations
Canonical SMILES: CNC(=O)C(C(=O)NO)N(C)C(=O)c1ccc(-c2ccc3c(c2)OCC3)cc1
Standard InChI: InChI=1S/C20H21N3O5/c1-21-18(24)17(19(25)22-27)23(2)20(26)14-6-3-12(4-7-14)15-8-5-13-9-10-28-16(13)11-15/h3-8,11,17,27H,9-10H2,1-2H3,(H,21,24)(H,22,25)
Standard InChI Key: PLYKINYNVPDMBD-UHFFFAOYSA-N
Associated Targets(non-human)
UDP-3-O-acyl-GlcNAc deacetylase 700 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: 383.40 | Molecular Weight (Monoisotopic): 383.1481 | AlogP: 0.98 | #Rotatable Bonds: 5 |
| Polar Surface Area: 107.97 | Molecular Species: NEUTRAL | HBA: 5 | HBD: 3 |
| #RO5 Violations: 0 | HBA (Lipinski): 8 | HBD (Lipinski): 3 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: 8.64 | CX Basic pKa: | CX LogP: 0.88 | CX LogD: 0.86 |
| Aromatic Rings: 2 | Heavy Atoms: 28 | QED Weighted: 0.41 | Np Likeness Score: -0.38 |
References
| 1. (2015) Hydroxamic acid derivative, |
Source
Source(1):