| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA3665112
Max Phase: Preclinical
Molecular Formula: C9H14F2N2O5
Molecular Weight: 268.22
Molecule Type: Small molecule
Associated Items:
Representations
Canonical SMILES: O=C1N[C@@H](O)CCN1C1O[C@H](CO)[C@@H](O)C1(F)F
Standard InChI: InChI=1S/C9H14F2N2O5/c10-9(11)6(16)4(3-14)18-7(9)13-2-1-5(15)12-8(13)17/h4-7,14-16H,1-3H2,(H,12,17)/t4-,5+,6-,7?/m1/s1
Standard InChI Key: VUDZSIYXZUYWSC-JFRCYRBUSA-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: 268.22 | Molecular Weight (Monoisotopic): 268.0871 | AlogP: -1.57 | #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: 11.00 | CX Basic pKa: | CX LogP: -1.41 | CX LogD: -1.41 |
| Aromatic Rings: 0 | Heavy Atoms: 18 | QED Weighted: 0.48 | Np Likeness Score: 1.22 |
References
| 1. (2013) Certain compounds, compositions and methods, |
Source
Source(1):