| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA3644513
Max Phase: Preclinical
Molecular Formula: C10H11N5O4
Molecular Weight: 265.23
Molecule Type: Small molecule
Associated Items:
Representations
Canonical SMILES: Cc1cn2c(nc1=O)O[C@H]1[C@H](O)[C@@H](CN=[N+]=[N-])O[C@H]12
Standard InChI: InChI=1S/C10H11N5O4/c1-4-3-15-9-7(19-10(15)13-8(4)17)6(16)5(18-9)2-12-14-11/h3,5-7,9,16H,2H2,1H3/t5-,6-,7+,9-/m1/s1
Standard InChI Key: SCHUDNUFKXZTFR-JAGXHNFQSA-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: 265.23 | Molecular Weight (Monoisotopic): 265.0811 | AlogP: -0.12 | #Rotatable Bonds: 2 |
| Polar Surface Area: 122.34 | Molecular Species: NEUTRAL | HBA: 7 | HBD: 1 |
| #RO5 Violations: 0 | HBA (Lipinski): 9 | HBD (Lipinski): 1 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: 13.03 | CX Basic pKa: | CX LogP: -0.05 | CX LogD: -0.17 |
| Aromatic Rings: 1 | Heavy Atoms: 19 | QED Weighted: 0.45 | Np Likeness Score: 1.16 |
References
| 1. (2014) Methotrexate adjuvants to reduce toxicity and methods for using the same, |
Source
Source(1):