| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA3644511
Max Phase: Preclinical
Molecular Formula: C11H14N2O6
Molecular Weight: 270.24
Molecule Type: Small molecule
Associated Items:
Representations
Canonical SMILES: COCc1cn2c(nc1=O)O[C@H]1[C@H](O)[C@@H](CO)O[C@H]12
Standard InChI: InChI=1S/C11H14N2O6/c1-17-4-5-2-13-10-8(7(15)6(3-14)18-10)19-11(13)12-9(5)16/h2,6-8,10,14-15H,3-4H2,1H3/t6-,7-,8+,10-/m1/s1
Standard InChI Key: WSIVUJPDBLOOCP-BDNRQGISSA-N
Associated Targets(Human)
Uridine phosphorylase 1 88 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: 270.24 | Molecular Weight (Monoisotopic): 270.0852 | AlogP: -1.60 | #Rotatable Bonds: 3 |
| Polar Surface Area: 103.04 | Molecular Species: NEUTRAL | HBA: 8 | HBD: 2 |
| #RO5 Violations: 0 | HBA (Lipinski): 8 | HBD (Lipinski): 2 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: 12.98 | CX Basic pKa: | CX LogP: -1.51 | CX LogD: -1.51 |
| Aromatic Rings: 1 | Heavy Atoms: 19 | QED Weighted: 0.68 | Np Likeness Score: 1.12 |
References
| 1. (2014) Methotrexate adjuvants to reduce toxicity and methods for using the same, |
Source
Source(1):