| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA328010
Max Phase: Preclinical
Molecular Formula: C10H17NO6
Molecular Weight: 247.25
Molecule Type: Small molecule
Associated Items:
Representations
Canonical SMILES: CCOC(OCC)C1=NO[C@H]2[C@H](O)C(O)O[C@@H]12
Standard InChI: InChI=1S/C10H17NO6/c1-3-14-10(15-4-2)5-7-8(17-11-5)6(12)9(13)16-7/h6-10,12-13H,3-4H2,1-2H3/t6-,7-,8-,9?/m0/s1
Standard InChI Key: JQLILWSWNBIOIP-VQKVPJPESA-N
Associated Targets(Human)
Beta-galactosidase 339 Activities
Associated Targets(non-human)
Beta-galactosidase 64 Activities
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
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: 247.25 | Molecular Weight (Monoisotopic): 247.1056 | AlogP: -0.78 | #Rotatable Bonds: 5 |
| Polar Surface Area: 89.74 | Molecular Species: NEUTRAL | HBA: 7 | HBD: 2 |
| #RO5 Violations: 0 | HBA (Lipinski): 7 | HBD (Lipinski): 2 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: 11.29 | CX Basic pKa: | CX LogP: 0.15 | CX LogD: 0.15 |
| Aromatic Rings: 0 | Heavy Atoms: 17 | QED Weighted: 0.62 | Np Likeness Score: 1.08 |
References
| 1. Schaller C, Demange R, Picasso S, Vogel P.. (1999) Specific, uncompetitive inhibition of beta-galactosidases by a 5,6-isopropylidenedioxyfuro[2,3-d]isoxazole-3-methanol derivative., 9 (2): [PMID:10021944] [10.1016/s0960-894x(98)00722-7] |
Source
Source(1):