| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA2029016
Max Phase: Preclinical
Molecular Formula: C15H23N3O10
Molecular Weight: 405.36
Molecule Type: Small molecule
Associated Items:
Representations
Canonical SMILES: Nc1ccn([C@@H]2O[C@H](CO[C@@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@H]3O)[C@@H](O)[C@@H]2O)c(=O)n1
Standard InChI: InChI=1S/C15H23N3O10/c16-7-1-2-18(15(25)17-7)13-11(23)9(21)6(27-13)4-26-14-12(24)10(22)8(20)5(3-19)28-14/h1-2,5-6,8-14,19-24H,3-4H2,(H2,16,17,25)/t5-,6-,8+,9-,10+,11+,12-,13-,14-/m1/s1
Standard InChI Key: OEFHJRRFNBSMIJ-DHJLESSHSA-N
Associated Targets(Human)
G-401 156 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: 405.36 | Molecular Weight (Monoisotopic): 405.1383 | AlogP: -4.74 | #Rotatable Bonds: 5 |
| Polar Surface Area: 209.98 | Molecular Species: NEUTRAL | HBA: 13 | HBD: 7 |
| #RO5 Violations: 2 | HBA (Lipinski): 13 | HBD (Lipinski): 8 | #RO5 Violations (Lipinski): 2 |
| CX Acidic pKa: 12.05 | CX Basic pKa: | CX LogP: -4.57 | CX LogD: -4.57 |
| Aromatic Rings: 1 | Heavy Atoms: 28 | QED Weighted: 0.25 | Np Likeness Score: 1.78 |
References
| 1. Fujimoto H, Takayanagi T, Ajisaka K.. (1994) Synthesis of N-acetylglucosamine-modified ara-C and its effect on ovarian cancer cells., 37 (21): [PMID:7932594] [10.1021/jm00047a024] |
Source
Source(1):