| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA2303751
Max Phase: Preclinical
Molecular Formula: C18H32O15
Molecular Weight: 488.44
Molecule Type: Small molecule
Associated Items:
Representations
Canonical SMILES: C[C@@H]1O[C@@H](O[C@@H]2[C@H](O[C@H]3[C@H](O)[C@H](O)[C@@H](O)O[C@H]3CO)O[C@@H](CO)[C@H](O)[C@@H]2O)[C@@H](O)[C@@H](O)[C@@H]1O
Standard InChI: InChI=1S/C18H32O15/c1-4-7(21)9(23)13(27)17(29-4)33-15-10(24)8(22)5(2-19)31-18(15)32-14-6(3-20)30-16(28)12(26)11(14)25/h4-28H,2-3H2,1H3/t4-,5-,6-,7+,8-,9-,10-,11+,12-,13-,14+,15-,16-,17-,18-/m0/s1
Standard InChI Key: SNFSYLYCDAVZGP-NCXWBBMNSA-N
Associated Targets(Human)
Fucosyltransferase 10 23 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: 488.44 | Molecular Weight (Monoisotopic): 488.1741 | AlogP: -6.55 | #Rotatable Bonds: 6 |
| Polar Surface Area: 248.45 | Molecular Species: NEUTRAL | HBA: 15 | HBD: 10 |
| #RO5 Violations: 2 | HBA (Lipinski): 15 | HBD (Lipinski): 10 | #RO5 Violations (Lipinski): 2 |
| CX Acidic pKa: 11.24 | CX Basic pKa: | CX LogP: -5.43 | CX LogD: -5.43 |
| Aromatic Rings: 0 | Heavy Atoms: 33 | QED Weighted: 0.17 | Np Likeness Score: 2.17 |
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):