| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA3695705
Max Phase: Preclinical
Molecular Formula: C18H17ClN2O5S
Molecular Weight: 408.86
Molecule Type: Small molecule
Associated Items:
Representations
Canonical SMILES: O=C(O)CC(NS(=O)(=O)c1ccc2c(c1)CCC(=O)N2)c1cccc(Cl)c1
Standard InChI: InChI=1S/C18H17ClN2O5S/c19-13-3-1-2-11(8-13)16(10-18(23)24)21-27(25,26)14-5-6-15-12(9-14)4-7-17(22)20-15/h1-3,5-6,8-9,16,21H,4,7,10H2,(H,20,22)(H,23,24)
Standard InChI Key: CUOSEWIVEPUJKI-UHFFFAOYSA-N
Associated Targets(Human)
UDP-N-acetylglucosamine--peptide N-acetylglucosaminyltransferase 110 kDa subunit 206 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: 408.86 | Molecular Weight (Monoisotopic): 408.0547 | AlogP: 2.72 | #Rotatable Bonds: 6 |
| Polar Surface Area: 112.57 | Molecular Species: ACID | HBA: 4 | HBD: 3 |
| #RO5 Violations: 0 | HBA (Lipinski): 7 | HBD (Lipinski): 3 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: 3.58 | CX Basic pKa: | CX LogP: 2.45 | CX LogD: -0.90 |
| Aromatic Rings: 2 | Heavy Atoms: 27 | QED Weighted: 0.68 | Np Likeness Score: -1.30 |
References
| 1. (2015) O-GlcNAc transferase inhibitors and uses thereof, |
Source
Source(1):