| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
D-ALLOSE
ID: ALA1222152
Max Phase: Preclinical
Molecular Formula: C6H12O6
Molecular Weight: 180.16
Molecule Type: Small molecule
Associated Items:
Representations
Synonyms (1): D-Allose
Synonyms from Alternative Forms(1):
Canonical SMILES: OC[C@H]1OC(O)[C@H](O)[C@H](O)[C@@H]1O
Standard InChI: InChI=1S/C6H12O6/c7-1-2-3(8)4(9)5(10)6(11)12-2/h2-11H,1H2/t2-,3-,4-,5-,6?/m1/s1
Standard InChI Key: WQZGKKKJIJFFOK-IVMDWMLBSA-N
Associated Targets(non-human)
Alpha 1,4 galactosyltransferase 29 Activities
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: 180.16 | Molecular Weight (Monoisotopic): 180.0634 | AlogP: -3.22 | #Rotatable Bonds: 1 |
| Polar Surface Area: 110.38 | Molecular Species: NEUTRAL | HBA: 6 | HBD: 5 |
| #RO5 Violations: 0 | HBA (Lipinski): 6 | HBD (Lipinski): 5 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: 11.30 | CX Basic pKa: | CX LogP: -2.93 | CX LogD: -2.93 |
| Aromatic Rings: 0 | Heavy Atoms: 12 | QED Weighted: 0.29 | Np Likeness Score: 2.63 |
References
| 1. Lairson LL, Watts AG, Wakarchuk WW, Withers SG.. (2006) Using substrate engineering to harness enzymatic promiscuity and expand biological catalysis., 2 (12): [PMID:17057723] [10.1038/nchembio828] |
Source
Source(1):