| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA2303756
Max Phase: Preclinical
Molecular Formula: C17H29NO10
Molecular Weight: 407.42
Molecule Type: Small molecule
Associated Items:
Representations
Canonical SMILES: C=CCO[C@H]1O[C@@H](CO)[C@@H](O[C@@H]2O[C@@H](CO)[C@H](O)[C@H](O)[C@@H]2O)C[C@@H]1NC(C)=O
Standard InChI: InChI=1S/C17H29NO10/c1-3-4-25-16-9(18-8(2)21)5-10(11(6-19)27-16)26-17-15(24)14(23)13(22)12(7-20)28-17/h3,9-17,19-20,22-24H,1,4-7H2,2H3,(H,18,21)/t9-,10-,11-,12-,13-,14-,15-,16-,17+/m0/s1
Standard InChI Key: JXMKTXZWWDDBFE-IZNDFLIMSA-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: 407.42 | Molecular Weight (Monoisotopic): 407.1791 | AlogP: -3.01 | #Rotatable Bonds: 8 |
| Polar Surface Area: 167.17 | Molecular Species: NEUTRAL | HBA: 10 | HBD: 6 |
| #RO5 Violations: 1 | HBA (Lipinski): 11 | HBD (Lipinski): 6 | #RO5 Violations (Lipinski): 2 |
| CX Acidic pKa: 12.16 | CX Basic pKa: | CX LogP: -2.93 | CX LogD: -2.93 |
| Aromatic Rings: 0 | Heavy Atoms: 28 | QED Weighted: 0.23 | Np Likeness Score: 1.38 |
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):