| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA4114077
Max Phase: Preclinical
Molecular Formula: C10H17FN2O4
Molecular Weight: 248.25
Molecule Type: Small molecule
Associated Items:
Representations
Canonical SMILES: OC[C@H]1C[C@@H]2OC(NCCF)=N[C@@H]2[C@@H](O)[C@@H]1O
Standard InChI: InChI=1S/C10H17FN2O4/c11-1-2-12-10-13-7-6(17-10)3-5(4-14)8(15)9(7)16/h5-9,14-16H,1-4H2,(H,12,13)/t5-,6+,7+,8-,9-/m1/s1
Standard InChI Key: ZOXVDJSGAVCZBJ-QMGXLNLGSA-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: 248.25 | Molecular Weight (Monoisotopic): 248.1172 | AlogP: -1.60 | #Rotatable Bonds: 3 |
| Polar Surface Area: 94.31 | Molecular Species: NEUTRAL | HBA: 6 | HBD: 4 |
| #RO5 Violations: 0 | HBA (Lipinski): 6 | HBD (Lipinski): 4 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: 13.15 | CX Basic pKa: 5.77 | CX LogP: -1.61 | CX LogD: -1.62 |
| Aromatic Rings: 0 | Heavy Atoms: 17 | QED Weighted: 0.48 | Np Likeness Score: 1.04 |
References
| 1. (2015) Selective glycosidase inhibitors and uses thereof, |
Source
Source(1):