| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA3697002
Max Phase: Preclinical
Molecular Formula: C20H23N3O6
Molecular Weight: 401.42
Molecule Type: Small molecule
Associated Items:
Representations
Canonical SMILES: CNC(=O)C(C(=O)NO)N(C)C(=O)c1ccc(-c2ccc(OCCO)cc2)cc1
Standard InChI: InChI=1S/C20H23N3O6/c1-21-18(25)17(19(26)22-28)23(2)20(27)15-5-3-13(4-6-15)14-7-9-16(10-8-14)29-12-11-24/h3-10,17,24,28H,11-12H2,1-2H3,(H,21,25)(H,22,26)
Standard InChI Key: DVTNDXWIAAGIAK-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: 401.42 | Molecular Weight (Monoisotopic): 401.1587 | AlogP: 0.42 | #Rotatable Bonds: 8 |
| Polar Surface Area: 128.20 | Molecular Species: NEUTRAL | HBA: 6 | HBD: 4 |
| #RO5 Violations: 0 | HBA (Lipinski): 9 | HBD (Lipinski): 4 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: 8.64 | CX Basic pKa: | CX LogP: 0.15 | CX LogD: 0.13 |
| Aromatic Rings: 2 | Heavy Atoms: 29 | QED Weighted: 0.29 | Np Likeness Score: -0.48 |
References
| 1. (2015) Hydroxamic acid derivative, |
Source
Source(1):