| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA4529797
Max Phase: Preclinical
Molecular Formula: C7H15NO5
Molecular Weight: 193.20
Molecule Type: Unknown
Associated Items:
Representations
Canonical SMILES: OC[C@H]1NC[C@H](O)[C@H](O)[C@@H](O)[C@@H]1O
Standard InChI: InChI=1S/C7H15NO5/c9-2-3-5(11)7(13)6(12)4(10)1-8-3/h3-13H,1-2H2/t3-,4+,5-,6+,7+/m1/s1
Standard InChI Key: ZDYFNBCFKWFCQZ-UOYQFSTFSA-N
Associated Targets(non-human)
Alpha-galactosidase 362 Activities
Molecule Features
| Natural Product: No | Oral: No | Chemical Probe: No | Parenteral: No |
| Molecule Type: Unknown | 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: 193.20 | Molecular Weight (Monoisotopic): 193.0950 | AlogP: -3.61 | #Rotatable Bonds: 1 |
| Polar Surface Area: 113.18 | Molecular Species: NEUTRAL | HBA: 6 | HBD: 6 |
| #RO5 Violations: 1 | HBA (Lipinski): 6 | HBD (Lipinski): 6 | #RO5 Violations (Lipinski): 1 |
| CX Acidic pKa: 12.68 | CX Basic pKa: 8.03 | CX LogP: -3.52 | CX LogD: -4.24 |
| Aromatic Rings: 0 | Heavy Atoms: 13 | QED Weighted: 0.26 | Np Likeness Score: 2.27 |
References
| 1. Zha GF, Rakesh KP, Manukumar HM, Shantharam CS, Long S.. (2019) Pharmaceutical significance of azepane based motifs for drug discovery: A critical review., 162 [PMID:30469042] [10.1016/j.ejmech.2018.11.031] |
Source
Source(1):