| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
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ID: ALA96060
Max Phase: Preclinical
Molecular Formula: C6H9NO5
Molecular Weight: 175.14
Molecule Type: Small molecule
Associated Items:
Representations
Canonical SMILES: OCC1=NO[C@H]2[C@H](O)C(O)O[C@@H]12
Standard InChI: InChI=1S/C6H9NO5/c8-1-2-4-5(12-7-2)3(9)6(10)11-4/h3-6,8-10H,1H2/t3-,4-,5-,6?/m0/s1
Standard InChI Key: ZGKWLIDXNPUSOH-NNXAEHONSA-N
Associated Targets(Human)
Beta-galactosidase 339 Activities
Alpha-galactosidase A 5444 Activities
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Associated Targets(non-human)
Beta-galactosidase 64 Activities
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
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Beta-glucosidase A 127 Activities
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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: 175.14 | Molecular Weight (Monoisotopic): 175.0481 | AlogP: -2.19 | #Rotatable Bonds: 1 |
| Polar Surface Area: 91.51 | Molecular Species: NEUTRAL | HBA: 6 | HBD: 3 |
| #RO5 Violations: 0 | HBA (Lipinski): 6 | HBD (Lipinski): 3 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: 11.29 | CX Basic pKa: 0.51 | CX LogP: -1.56 | CX LogD: -1.56 |
| Aromatic Rings: 0 | Heavy Atoms: 12 | QED Weighted: 0.42 | Np Likeness Score: 1.83 |
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):