| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA3908427
Max Phase: Preclinical
Molecular Formula: C10H18N2O3S
Molecular Weight: 246.33
Molecule Type: Small molecule
Associated Items:
Representations
Canonical SMILES: CN(C)C1=N[C@H]2[C@H](O)[C@@H](O)[C@H](CO)C[C@H]2S1
Standard InChI: InChI=1S/C10H18N2O3S/c1-12(2)10-11-7-6(16-10)3-5(4-13)8(14)9(7)15/h5-9,13-15H,3-4H2,1-2H3/t5-,6+,7+,8-,9-/m0/s1
Standard InChI Key: RUEJCMKVYHPEOF-ABRLLLAPSA-N
Associated Targets(Human)
Bifunctional protein NCOAT 460 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: 246.33 | Molecular Weight (Monoisotopic): 246.1038 | AlogP: -0.88 | #Rotatable Bonds: 1 |
| Polar Surface Area: 76.29 | Molecular Species: NEUTRAL | HBA: 6 | HBD: 3 |
| #RO5 Violations: 0 | HBA (Lipinski): 5 | HBD (Lipinski): 3 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: 13.19 | CX Basic pKa: 8.46 | CX LogP: -1.05 | CX LogD: -2.12 |
| Aromatic Rings: 0 | Heavy Atoms: 16 | QED Weighted: 0.56 | Np Likeness Score: 0.75 |
References
| 1. (2015) Selective glycosidase inhibitors and uses thereof, |
Source
Source(1):