| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA3697001
Max Phase: Preclinical
Molecular Formula: C20H21N3O7
Molecular Weight: 415.40
Molecule Type: Small molecule
Associated Items:
Representations
Canonical SMILES: CNC(=O)C(C(=O)NO)N(C)C(=O)c1ccc(-c2ccc3c(c2)OC(OC)O3)cc1
Standard InChI: InChI=1S/C20H21N3O7/c1-21-17(24)16(18(25)22-27)23(2)19(26)12-6-4-11(5-7-12)13-8-9-14-15(10-13)30-20(28-3)29-14/h4-10,16,20,27H,1-3H3,(H,21,24)(H,22,25)
Standard InChI Key: YEWRMKAAOKHICI-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: 415.40 | Molecular Weight (Monoisotopic): 415.1380 | AlogP: 0.75 | #Rotatable Bonds: 6 |
| Polar Surface Area: 126.43 | Molecular Species: NEUTRAL | HBA: 7 | HBD: 3 |
| #RO5 Violations: 0 | HBA (Lipinski): 10 | HBD (Lipinski): 3 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: 8.64 | CX Basic pKa: | CX LogP: 1.18 | CX LogD: 1.15 |
| Aromatic Rings: 2 | Heavy Atoms: 30 | QED Weighted: 0.36 | Np Likeness Score: -0.14 |
References
| 1. (2015) Hydroxamic acid derivative, |
Source
Source(1):