| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA3696994
Max Phase: Preclinical
Molecular Formula: C21H24N4O4
Molecular Weight: 396.45
Molecule Type: Small molecule
Associated Items:
Representations
Canonical SMILES: CNC(=O)C(C(=O)NO)N(C)C(=O)c1ccc(-c2ccc3c(c2)CCN3C)cc1
Standard InChI: InChI=1S/C21H24N4O4/c1-22-19(26)18(20(27)23-29)25(3)21(28)14-6-4-13(5-7-14)15-8-9-17-16(12-15)10-11-24(17)2/h4-9,12,18,29H,10-11H2,1-3H3,(H,22,26)(H,23,27)
Standard InChI Key: NDRRCVQDIXFNCF-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: 396.45 | Molecular Weight (Monoisotopic): 396.1798 | AlogP: 1.04 | #Rotatable Bonds: 5 |
| Polar Surface Area: 101.98 | 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: 4.00 | CX LogP: 1.15 | CX LogD: 1.12 |
| Aromatic Rings: 2 | Heavy Atoms: 29 | QED Weighted: 0.40 | Np Likeness Score: -0.71 |
References
| 1. (2015) Hydroxamic acid derivative, |
Source
Source(1):