| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA608655
Max Phase: Preclinical
Molecular Formula: C8H14N2O5
Molecular Weight: 218.21
Molecule Type: Small molecule
Associated Items:
Representations
Canonical SMILES: O=C1NCCN1C1O[C@H](CO)[C@@H](O)[C@H]1O
Standard InChI: InChI=1S/C8H14N2O5/c11-3-4-5(12)6(13)7(15-4)10-2-1-9-8(10)14/h4-7,11-13H,1-3H2,(H,9,14)/t4-,5-,6-,7?/m1/s1
Standard InChI Key: AZBBWEJRVMCCTH-RKEPMNIXSA-N
Associated Targets(Human)
Cytidine deaminase 97 Activities
Associated Targets(non-human)
Cytidine deaminase 37 Activities
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
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: 218.21 | Molecular Weight (Monoisotopic): 218.0903 | AlogP: -2.55 | #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: 12.51 | CX Basic pKa: | CX LogP: -2.65 | CX LogD: -2.65 |
| Aromatic Rings: 0 | Heavy Atoms: 15 | QED Weighted: 0.41 | Np Likeness Score: 1.49 |
References
| 1. Liu PS, Marquez VE, Driscoll JS, Fuller RW, McCormack JJ.. (1981) Cyclic urea nucleosides. Cytidine deaminase activity as a function of aglycon ring size., 24 (6): [PMID:7252974] [10.1021/jm00138a003] |
Source
Source(1):