| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA220699
Max Phase: Preclinical
Molecular Formula: C7H8N4O3
Molecular Weight: 196.17
Molecule Type: Small molecule
Associated Items:
Representations
Canonical SMILES: O=C1NC(CO)C(=O)Nc2[nH]cnc21
Standard InChI: InChI=1S/C7H8N4O3/c12-1-3-6(13)11-5-4(7(14)10-3)8-2-9-5/h2-3,12H,1H2,(H,8,9)(H,10,14)(H,11,13)
Standard InChI Key: LPXWHZOPSHICBM-UHFFFAOYSA-N
Associated Targets(Human)
Guanine deaminase 19 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: 196.17 | Molecular Weight (Monoisotopic): 196.0596 | AlogP: -1.55 | #Rotatable Bonds: 1 |
| Polar Surface Area: 107.11 | Molecular Species: NEUTRAL | HBA: 4 | HBD: 4 |
| #RO5 Violations: 0 | HBA (Lipinski): 7 | HBD (Lipinski): 4 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: 8.80 | CX Basic pKa: 3.05 | CX LogP: -1.48 | CX LogD: -1.50 |
| Aromatic Rings: 1 | Heavy Atoms: 14 | QED Weighted: 0.44 | Np Likeness Score: 0.80 |
References
| 1. Ujjinamatada RK, Bhan A, Hosmane RS.. (2006) Design of inhibitors against guanase: synthesis and biochemical evaluation of analogues of azepinomycin., 16 (21): [PMID:16920357] [10.1016/j.bmcl.2006.08.033] |
Source
Source(1):