| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA3665113
Max Phase: Preclinical
Molecular Formula: C9H15FN2O5
Molecular Weight: 250.23
Molecule Type: Small molecule
Associated Items:
Representations
Canonical SMILES: O=C1N[C@@H](O)CCN1C1O[C@H](CO)[C@@H](O)[C@@H]1F
Standard InChI: InChI=1S/C9H15FN2O5/c10-6-7(15)4(3-13)17-8(6)12-2-1-5(14)11-9(12)16/h4-8,13-15H,1-3H2,(H,11,16)/t4-,5+,6+,7-,8?/m1/s1
Standard InChI Key: RTGAEUWOUHUIHP-XLSKCSLXSA-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: 250.23 | Molecular Weight (Monoisotopic): 250.0965 | AlogP: -1.86 | #Rotatable Bonds: 2 |
| Polar Surface Area: 102.26 | Molecular Species: NEUTRAL | HBA: 5 | HBD: 4 |
| #RO5 Violations: 0 | HBA (Lipinski): 7 | HBD (Lipinski): 4 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: 11.44 | CX Basic pKa: | CX LogP: -1.85 | CX LogD: -1.85 |
| Aromatic Rings: 0 | Heavy Atoms: 17 | QED Weighted: 0.46 | Np Likeness Score: 1.28 |
References
| 1. (2013) Certain compounds, compositions and methods, |
Source
Source(1):