| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
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ID: ALA488157
Max Phase: Preclinical
Molecular Formula: C7H15NO4
Molecular Weight: 177.20
Molecule Type: Small molecule
Associated Items:
Representations
Synonyms (1): 7-deoxy-homoDMDP
Synonyms from Alternative Forms(1):
Canonical SMILES: C[C@H](O)[C@H]1N[C@H](CO)[C@@H](O)[C@@H]1O
Standard InChI: InChI=1S/C7H15NO4/c1-3(10)5-7(12)6(11)4(2-9)8-5/h3-12H,2H2,1H3/t3-,4+,5+,6+,7+/m0/s1
Standard InChI Key: GBQAQDYHLUTAGE-CQOGJGKDSA-N
Associated Targets(non-human)
Oligo-1,6-glucosidase 218 Activities
Acidic alpha-glucosidase 551 Activities
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Beta-glucosidase A 127 Activities
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Beta-mannosidase 52 Activities
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Beta-galactosidase 500 Activities
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Alpha-L-fucosidase 1 358 Activities
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Molecule Features
| Natural Product: Yes | 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: 177.20 | Molecular Weight (Monoisotopic): 177.1001 | AlogP: -2.58 | #Rotatable Bonds: 2 |
| Polar Surface Area: 92.95 | Molecular Species: BASE | HBA: 5 | HBD: 5 |
| #RO5 Violations: 0 | HBA (Lipinski): 5 | HBD (Lipinski): 5 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: 13.17 | CX Basic pKa: 9.04 | CX LogP: -2.47 | CX LogD: -4.11 |
| Aromatic Rings: 0 | Heavy Atoms: 12 | QED Weighted: 0.32 | Np Likeness Score: 2.61 |
References
| 1. Yamashita T, Yasuda K, Kizu H, Kameda Y, Watson AA, Nash RJ, Fleet GW, Asano N.. (2002) New polyhydroxylated pyrrolidine, piperidine, and pyrrolizidine alkaloids from Scilla sibirica., 65 (12): [PMID:12502331] [10.1021/np020296h] |
Source
Source(1):