| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA3697003
Max Phase: Preclinical
Molecular Formula: C22H22N4O5
Molecular Weight: 422.44
Molecule Type: Small molecule
Associated Items:
Representations
Canonical SMILES: Cc1cc(CNC(=O)C(C(=O)NO)N(C)C(=O)c2ccc(-c3ccccc3)cc2)no1
Standard InChI: InChI=1S/C22H22N4O5/c1-14-12-18(25-31-14)13-23-20(27)19(21(28)24-30)26(2)22(29)17-10-8-16(9-11-17)15-6-4-3-5-7-15/h3-12,19,30H,13H2,1-2H3,(H,23,27)(H,24,28)
Standard InChI Key: QUFWPAPFZHOQEK-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: 422.44 | Molecular Weight (Monoisotopic): 422.1590 | AlogP: 1.91 | #Rotatable Bonds: 7 |
| Polar Surface Area: 124.77 | Molecular Species: NEUTRAL | HBA: 6 | HBD: 3 |
| #RO5 Violations: 0 | HBA (Lipinski): 9 | HBD (Lipinski): 3 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: 8.64 | CX Basic pKa: | CX LogP: 1.37 | CX LogD: 1.34 |
| Aromatic Rings: 3 | Heavy Atoms: 31 | QED Weighted: 0.30 | Np Likeness Score: -1.31 |
References
| 1. (2015) Hydroxamic acid derivative, |
Source
Source(1):