| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA3695709
Max Phase: Preclinical
Molecular Formula: C24H23N3O4S
Molecular Weight: 449.53
Molecule Type: Small molecule
Associated Items:
Representations
Canonical SMILES: O=C1CCc2cc(S(=O)(=O)NC(C(=O)NCc3ccccc3)c3ccccc3)ccc2N1
Standard InChI: InChI=1S/C24H23N3O4S/c28-22-14-11-19-15-20(12-13-21(19)26-22)32(30,31)27-23(18-9-5-2-6-10-18)24(29)25-16-17-7-3-1-4-8-17/h1-10,12-13,15,23,27H,11,14,16H2,(H,25,29)(H,26,28)
Standard InChI Key: INVNSZZUJLAMEX-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: 449.53 | Molecular Weight (Monoisotopic): 449.1409 | AlogP: 2.91 | #Rotatable Bonds: 7 |
| 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: 8.92 | CX Basic pKa: | CX LogP: 2.90 | CX LogD: 2.89 |
| Aromatic Rings: 3 | Heavy Atoms: 32 | QED Weighted: 0.52 | Np Likeness Score: -1.30 |
References
| 1. (2015) O-GlcNAc transferase inhibitors and uses thereof, |
Source
Source(1):