| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA2303753
Max Phase: Preclinical
Molecular Formula: C12H20O9
Molecular Weight: 308.28
Molecule Type: Small molecule
Associated Items:
Representations
Canonical SMILES: OC[C@@H]1O[C@@H](O[C@H]2[C@H](O)C=CO[C@H]2CO)[C@@H](O)[C@@H](O)[C@H]1O
Standard InChI: InChI=1S/C12H20O9/c13-3-6-8(16)9(17)10(18)12(20-6)21-11-5(15)1-2-19-7(11)4-14/h1-2,5-18H,3-4H2/t5-,6+,7+,8+,9+,10+,11+,12+/m1/s1
Standard InChI Key: HNXRLRRQDUXQEE-ZWAUSMFZSA-N
Associated Targets(Human)
Fucosyltransferase 10 23 Activities
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 |
|---|
Mechanisms of Action
| Mechanism of Action | Action Type | target ID | Target Name | Target Type | Target Organism | Binding Site Name | References |
|---|
Properties
| Molecular Weight: 308.28 | Molecular Weight (Monoisotopic): 308.1107 | AlogP: -3.56 | #Rotatable Bonds: 4 |
| Polar Surface Area: 149.07 | Molecular Species: NEUTRAL | HBA: 9 | HBD: 6 |
| #RO5 Violations: 1 | HBA (Lipinski): 9 | HBD (Lipinski): 6 | #RO5 Violations (Lipinski): 1 |
| CX Acidic pKa: 12.19 | CX Basic pKa: | CX LogP: -3.41 | CX LogD: -3.41 |
| Aromatic Rings: 0 | Heavy Atoms: 21 | QED Weighted: 0.31 | Np Likeness Score: 2.55 |
References
| 1. Dumas DP, Ichikawa Y, Wong C, Lowe JB, Nair RP. (1991) Enzymatic synthesis of sialyl Lex and derivatives based on a recombinant fucosyltransferase, 1 (8): [10.1016/S0960-894X(00)80270-X] |
Source
Source(1):