| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA3658872
Max Phase: Preclinical
Molecular Formula: C10H14F2N2O4
Molecular Weight: 264.23
Molecule Type: Small molecule
Associated Items:
Representations
Canonical SMILES: O=C1NCC=CCN1[C@H]1O[C@H](CO)[C@@H](O)C1(F)F
Standard InChI: InChI=1S/C10H14F2N2O4/c11-10(12)7(16)6(5-15)18-8(10)14-4-2-1-3-13-9(14)17/h1-2,6-8,15-16H,3-5H2,(H,13,17)/t6-,7-,8+/m1/s1
Standard InChI Key: SNRKAOGJCXPPSV-PRJMDXOYSA-N
Associated Targets(Human)
Cytidine deaminase 97 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: 264.23 | Molecular Weight (Monoisotopic): 264.0922 | AlogP: -0.72 | #Rotatable Bonds: 2 |
| Polar Surface Area: 82.03 | Molecular Species: NEUTRAL | HBA: 4 | HBD: 3 |
| #RO5 Violations: 0 | HBA (Lipinski): 6 | HBD (Lipinski): 3 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: 11.51 | CX Basic pKa: | CX LogP: -0.79 | CX LogD: -0.79 |
| Aromatic Rings: 0 | Heavy Atoms: 18 | QED Weighted: 0.57 | Np Likeness Score: 1.35 |
References
| 1. (2015) Compositions and methods for treating cancer, |
Source
Source(1):