| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA3644514
Max Phase: Preclinical
Molecular Formula: C10H11FN2O4
Molecular Weight: 242.21
Molecule Type: Small molecule
Associated Items:
Representations
Canonical SMILES: Cc1cn2c(nc1=O)O[C@H]1C(O)[C@@H](CF)O[C@H]12
Standard InChI: InChI=1S/C10H11FN2O4/c1-4-3-13-9-7(6(14)5(2-11)16-9)17-10(13)12-8(4)15/h3,5-7,9,14H,2H2,1H3/t5-,6?,7+,9-/m1/s1
Standard InChI Key: QTKLHMLQXNPHTE-AOXOCZDOSA-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: 242.21 | Molecular Weight (Monoisotopic): 242.0703 | AlogP: -0.46 | #Rotatable Bonds: 1 |
| Polar Surface Area: 73.58 | Molecular Species: NEUTRAL | HBA: 6 | HBD: 1 |
| #RO5 Violations: 0 | HBA (Lipinski): 6 | HBD (Lipinski): 1 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: 12.98 | CX Basic pKa: | CX LogP: 0.02 | CX LogD: 0.02 |
| Aromatic Rings: 1 | Heavy Atoms: 17 | QED Weighted: 0.72 | Np Likeness Score: 1.00 |
References
| 1. (2014) Methotrexate adjuvants to reduce toxicity and methods for using the same, |
Source
Source(1):