| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA3696995
Max Phase: Preclinical
Molecular Formula: C20H24N4O4
Molecular Weight: 384.44
Molecule Type: Small molecule
Associated Items:
Representations
Canonical SMILES: CNC(=O)C(C(=O)NO)N(C)C(=O)c1ccc(-c2ccc(N(C)C)cc2)cc1
Standard InChI: InChI=1S/C20H24N4O4/c1-21-18(25)17(19(26)22-28)24(4)20(27)15-7-5-13(6-8-15)14-9-11-16(12-10-14)23(2)3/h5-12,17,28H,1-4H3,(H,21,25)(H,22,26)
Standard InChI Key: PDZCTERJCYWDCE-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: 384.44 | Molecular Weight (Monoisotopic): 384.1798 | AlogP: 1.11 | #Rotatable Bonds: 6 |
| 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: 4.75 | CX LogP: 1.11 | CX LogD: 1.08 |
| Aromatic Rings: 2 | Heavy Atoms: 28 | QED Weighted: 0.39 | Np Likeness Score: -0.67 |
References
| 1. (2015) Hydroxamic acid derivative, |
Source
Source(1):