ID: ALA408355
Chembl Id: CHEMBL408355
Cas Number: 105017-31-0
PubChem CID: 11073391
Max Phase: Preclinical
Molecular Formula: C5H11NO2
Molecular Weight: 117.15
Molecule Type: Small molecule
Associated Items:
Canonical SMILES: OC[C@H]1NCC[C@@H]1O
Standard InChI: InChI=1S/C5H11NO2/c7-3-4-5(8)1-2-6-4/h4-8H,1-3H2/t4-,5+/m1/s1
Standard InChI Key: TYLFLHPQWQQWRD-UHNVWZDZSA-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: 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 |
| 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 |
|---|
| Molecular Weight: 117.15 | Molecular Weight (Monoisotopic): 117.0790 | AlogP: -1.30 | #Rotatable Bonds: 1 |
| Polar Surface Area: 52.49 | Molecular Species: BASE | HBA: 3 | HBD: 3 |
| #RO5 Violations: 0 | HBA (Lipinski): 3 | HBD (Lipinski): 3 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: | CX Basic pKa: 10.06 | CX LogP: -1.57 | CX LogD: -4.13 |
| Aromatic Rings: 0 | Heavy Atoms: 8 | QED Weighted: 0.40 | Np Likeness Score: 2.68 |
| 1. Minami Y, Kuriyama C, Ikeda K, Kato A, Takebayashi K, Adachi I, Fleet GW, Kettawan A, Okamoto T, Asano N.. (2008) Effect of five-membered sugar mimics on mammalian glycogen-degrading enzymes and various glucosidases., 16 (6): [PMID:18258441] [10.1016/j.bmc.2008.01.032] |
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