| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA4524098
Max Phase: Preclinical
Molecular Formula: C10H18N2O5
Molecular Weight: 246.26
Molecule Type: Unknown
Associated Items:
Representations
Canonical SMILES: O=C1NCCCCN1[C@@H]1OC[C@@H](O)[C@@H](O)[C@H]1O
Standard InChI: InChI=1S/C10H18N2O5/c13-6-5-17-9(8(15)7(6)14)12-4-2-1-3-11-10(12)16/h6-9,13-15H,1-5H2,(H,11,16)/t6-,7-,8-,9-/m1/s1
Standard InChI Key: BXJPUKLMZPKXMB-FNCVBFRFSA-N
Associated Targets(non-human)
Cytidine deaminase 37 Activities
Molecule Features
| Natural Product: No | Oral: No | Chemical Probe: No | Parenteral: No |
| Molecule Type: Unknown | 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: 246.26 | Molecular Weight (Monoisotopic): 246.1216 | AlogP: -1.77 | #Rotatable Bonds: 1 |
| 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: 12.48 | CX Basic pKa: | CX LogP: -2.07 | CX LogD: -2.07 |
| Aromatic Rings: 0 | Heavy Atoms: 17 | QED Weighted: 0.44 | Np Likeness Score: 1.09 |
References
| 1. Kelley JA, Driscoll JS, McCormack JJ, Roth JS, Marquez VE.. (1986) Furanose-pyranose isomerization of reduced pyrimidine and cyclic urea ribosides., 29 (11): [PMID:3783592] [10.1021/jm00161a034] |
Source
Source(1):