| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA3219497
Max Phase: Preclinical
Molecular Formula: C5H9N3O2
Molecular Weight: 143.15
Molecule Type: Small molecule
Associated Items:
Representations
Canonical SMILES: NC[C@H]1CNC(=O)C(=O)N1
Standard InChI: InChI=1S/C5H9N3O2/c6-1-3-2-7-4(9)5(10)8-3/h3H,1-2,6H2,(H,7,9)(H,8,10)/t3-/m0/s1
Standard InChI Key: WHGANRDWMKINNH-VKHMYHEASA-N
Associated Targets(Human)
Glutamate [NMDA] receptor 933 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: 143.15 | Molecular Weight (Monoisotopic): 143.0695 | AlogP: -2.44 | #Rotatable Bonds: 1 |
| Polar Surface Area: 84.22 | Molecular Species: BASE | HBA: 3 | HBD: 3 |
| #RO5 Violations: 0 | HBA (Lipinski): 5 | HBD (Lipinski): 4 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: 10.97 | CX Basic pKa: 8.72 | CX LogP: -2.34 | CX LogD: -3.69 |
| Aromatic Rings: 0 | Heavy Atoms: 10 | QED Weighted: 0.36 | Np Likeness Score: 1.00 |
References
| 1. Reymond J, van Deursen R, Blum LC, Ruddigkeit L. (2010) Chemical space as a source for new drugs, 1 (1): [10.1039/C0MD00020E] |
Source
Source(1):