| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA2303752
Max Phase: Preclinical
Molecular Formula: C12H22O10S
Molecular Weight: 358.37
Molecule Type: Small molecule
Associated Items:
Representations
Canonical SMILES: OC[C@@H]1O[C@@H](O[C@H]2[C@H](O)[C@H](O)[C@H](O)S[C@H]2CO)[C@@H](O)[C@@H](O)[C@H]1O
Standard InChI: InChI=1S/C12H22O10S/c13-1-3-5(15)6(16)9(19)12(21-3)22-10-4(2-14)23-11(20)8(18)7(10)17/h3-20H,1-2H2/t3-,4-,5-,6-,7+,8-,9-,10+,11+,12-/m0/s1
Standard InChI Key: IEAULPWCMVZPMT-XKZQKJIVSA-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: 358.37 | Molecular Weight (Monoisotopic): 358.0934 | AlogP: -4.68 | #Rotatable Bonds: 4 |
| Polar Surface Area: 180.30 | Molecular Species: NEUTRAL | HBA: 11 | HBD: 8 |
| #RO5 Violations: 2 | HBA (Lipinski): 10 | HBD (Lipinski): 8 | #RO5 Violations (Lipinski): 1 |
| CX Acidic pKa: 12.01 | CX Basic pKa: | CX LogP: -4.39 | CX LogD: -4.39 |
| Aromatic Rings: 0 | Heavy Atoms: 23 | QED Weighted: 0.24 | Np Likeness Score: 1.85 |
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):