ID: ALA534474
Max Phase: Preclinical
Molecular Formula: C5H12ClNO4
Molecular Weight: 149.15
Molecule Type: Small molecule
Associated Items:
Synonyms (1): Piperidine-2,3,4,5-Tetraol With HCl
Synonyms from Alternative Forms(1):
Canonical SMILES: Cl.OC1CNC(O)C(O)C1O
Standard InChI: InChI=1S/C5H11NO4.ClH/c7-2-1-6-5(10)4(9)3(2)8;/h2-10H,1H2;1H
Standard InChI Key: AEPDZTJJMIHYMG-UHFFFAOYSA-N
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
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| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
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| 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 |
| MESH ID | MESH Heading | EFO IDs | EFO Terms | Max Phase for Indication | References |
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| Mechanism of Action | Action Type | target ID | Target Name | Target Type | Target Organism | Binding Site Name | References |
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| Molecular Weight: 149.15 | Molecular Weight (Monoisotopic): 149.0688 | AlogP: -3.01 | #Rotatable Bonds: 0 |
| Polar Surface Area: 92.95 | Molecular Species: NEUTRAL | HBA: 5 | HBD: 5 |
| #RO5 Violations: 0 | HBA (Lipinski): 5 | HBD (Lipinski): 5 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: 12.36 | CX Basic pKa: 7.56 | CX LogP: -2.62 | CX LogD: -3.01 |
| Aromatic Rings: 0 | Heavy Atoms: 10 | QED Weighted: 0.25 | Np Likeness Score: 1.74 |
| 1. Rossi LL, Basu A.. (2005) Glycosidase inhibition by 1-glycosyl-4-phenyl triazoles., 15 (15): [PMID:15979309] [10.1016/j.bmcl.2005.05.081] |
Source(1):
