| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA3644509
Max Phase: Preclinical
Molecular Formula: C12H16N2O6
Molecular Weight: 284.27
Molecule Type: Small molecule
Associated Items:
Representations
Canonical SMILES: CCOCc1cn2c(nc1=O)O[C@H]1[C@H](O)[C@@H](CO)O[C@H]12
Standard InChI: InChI=1S/C12H16N2O6/c1-2-18-5-6-3-14-11-9(8(16)7(4-15)19-11)20-12(14)13-10(6)17/h3,7-9,11,15-16H,2,4-5H2,1H3/t7-,8-,9+,11-/m1/s1
Standard InChI Key: IVOLNKFVMNSOJV-SDNRWEOFSA-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: 284.27 | Molecular Weight (Monoisotopic): 284.1008 | AlogP: -1.21 | #Rotatable Bonds: 4 |
| 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: -1.15 | CX LogD: -1.15 |
| Aromatic Rings: 1 | Heavy Atoms: 20 | QED Weighted: 0.71 | Np Likeness Score: 0.93 |
References
| 1. (2014) Methotrexate adjuvants to reduce toxicity and methods for using the same, |
Source
Source(1):