| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA3695708
Max Phase: Preclinical
Molecular Formula: C19H15ClN4O4S2
Molecular Weight: 462.94
Molecule Type: Small molecule
Associated Items:
Representations
Canonical SMILES: CN(CC(=O)Nc1nc2ccc(Cl)cc2s1)S(=O)(=O)c1ccc2[nH]c(=O)ccc2c1
Standard InChI: InChI=1S/C19H15ClN4O4S2/c1-24(10-18(26)23-19-22-15-5-3-12(20)9-16(15)29-19)30(27,28)13-4-6-14-11(8-13)2-7-17(25)21-14/h2-9H,10H2,1H3,(H,21,25)(H,22,23,26)
Standard InChI Key: KQODEWWFTJHAAI-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: 462.94 | Molecular Weight (Monoisotopic): 462.0223 | AlogP: 3.05 | #Rotatable Bonds: 5 |
| Polar Surface Area: 112.23 | Molecular Species: NEUTRAL | HBA: 6 | HBD: 2 |
| #RO5 Violations: 0 | HBA (Lipinski): 8 | HBD (Lipinski): 2 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: 7.76 | CX Basic pKa: | CX LogP: 2.99 | CX LogD: 2.84 |
| Aromatic Rings: 4 | Heavy Atoms: 30 | QED Weighted: 0.47 | Np Likeness Score: -2.54 |
References
| 1. (2015) O-GlcNAc transferase inhibitors and uses thereof, |
Source
Source(1):