| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA3696992
Max Phase: Preclinical
Molecular Formula: C25H32N4O6
Molecular Weight: 484.55
Molecule Type: Small molecule
Associated Items:
Representations
Canonical SMILES: CNC(=O)C(C(=O)NO)N(C)C(=O)c1ccc(-c2ccc(OCCCN3CCOCC3)cc2)cc1
Standard InChI: InChI=1S/C25H32N4O6/c1-26-23(30)22(24(31)27-33)28(2)25(32)20-6-4-18(5-7-20)19-8-10-21(11-9-19)35-15-3-12-29-13-16-34-17-14-29/h4-11,22,33H,3,12-17H2,1-2H3,(H,26,30)(H,27,31)
Standard InChI Key: YGYJOHJRDFKKNK-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: 484.55 | Molecular Weight (Monoisotopic): 484.2322 | AlogP: 1.15 | #Rotatable Bonds: 10 |
| Polar Surface Area: 120.44 | Molecular Species: NEUTRAL | HBA: 7 | HBD: 3 |
| #RO5 Violations: 0 | HBA (Lipinski): 10 | HBD (Lipinski): 3 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: 8.65 | CX Basic pKa: 7.04 | CX LogP: 0.56 | CX LogD: 0.51 |
| Aromatic Rings: 2 | Heavy Atoms: 35 | QED Weighted: 0.20 | Np Likeness Score: -1.00 |
References
| 1. (2015) Hydroxamic acid derivative, |
Source
Source(1):