| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
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ID: ALA2409322
Max Phase: Preclinical
Molecular Formula: C7H13NO2
Molecular Weight: 143.19
Molecule Type: Small molecule
Associated Items:
Representations
Canonical SMILES: O[C@H]1CCCN2C[C@H](O)[C@H]12
Standard InChI: InChI=1S/C7H13NO2/c9-5-2-1-3-8-4-6(10)7(5)8/h5-7,9-10H,1-4H2/t5-,6-,7-/m0/s1
Standard InChI Key: OHWYUBJIJMGVMR-ACZMJKKPSA-N
Associated Targets(non-human)
Beta-glucuronidase 291 Activities
Alpha-L-fucosidase 1 358 Activities
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Glucosylceramidase 58 Activities
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Beta-galactosidase 500 Activities
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Alpha-glucosidase 24 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 |
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Mechanisms of Action
| Mechanism of Action | Action Type | target ID | Target Name | Target Type | Target Organism | Binding Site Name | References |
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Properties
| Molecular Weight: 143.19 | Molecular Weight (Monoisotopic): 143.0946 | AlogP: -0.81 | #Rotatable Bonds: 0 |
| Polar Surface Area: 43.70 | Molecular Species: NEUTRAL | HBA: 3 | HBD: 2 |
| #RO5 Violations: 0 | HBA (Lipinski): 3 | HBD (Lipinski): 2 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: | CX Basic pKa: 8.07 | CX LogP: -0.78 | CX LogD: -1.53 |
| Aromatic Rings: 0 | Heavy Atoms: 10 | QED Weighted: 0.47 | Np Likeness Score: 1.36 |
References
| 1. Martínez RF, Araújo N, Jenkinson SF, Nakagawa S, Kato A, Fleet GW.. (2013) (3R,4S,5R,6R,7S)-3,4,5,7-Tetrahydroxyconidine, an azetidine analogue of 6,7-diepicastanospermine and a conformationally constrained d-deoxyaltronojirimycin, from l-arabinose., 21 (16): [PMID:23545138] [10.1016/j.bmc.2013.03.004] |
Source
Source(1):