| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA3695702
Max Phase: Preclinical
Molecular Formula: C26H27N3O4S
Molecular Weight: 477.59
Molecule Type: Small molecule
Associated Items:
Representations
Canonical SMILES: Cc1cc(C)c(NC(=O)C(NS(=O)(=O)c2ccc3c(c2)CCC(=O)N3)c2ccccc2)c(C)c1
Standard InChI: InChI=1S/C26H27N3O4S/c1-16-13-17(2)24(18(3)14-16)28-26(31)25(19-7-5-4-6-8-19)29-34(32,33)21-10-11-22-20(15-21)9-12-23(30)27-22/h4-8,10-11,13-15,25,29H,9,12H2,1-3H3,(H,27,30)(H,28,31)
Standard InChI Key: JHMPLCCJSHNUMD-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: 477.59 | Molecular Weight (Monoisotopic): 477.1722 | AlogP: 4.15 | #Rotatable Bonds: 6 |
| Polar Surface Area: 104.37 | Molecular Species: NEUTRAL | HBA: 4 | HBD: 3 |
| #RO5 Violations: 0 | HBA (Lipinski): 7 | HBD (Lipinski): 3 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: 8.22 | CX Basic pKa: | CX LogP: 4.74 | CX LogD: 4.68 |
| Aromatic Rings: 3 | Heavy Atoms: 34 | QED Weighted: 0.50 | Np Likeness Score: -1.35 |
References
| 1. (2015) O-GlcNAc transferase inhibitors and uses thereof, |
Source
Source(1):