| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA3219495
Max Phase: Preclinical
Molecular Formula: C5H12N2O2
Molecular Weight: 132.16
Molecule Type: Small molecule
Associated Items:
Representations
Canonical SMILES: C[C@@H](NCCN)C(=O)O
Standard InChI: InChI=1S/C5H12N2O2/c1-4(5(8)9)7-3-2-6/h4,7H,2-3,6H2,1H3,(H,8,9)/t4-/m1/s1
Standard InChI Key: LWXIHPKOLTXDET-SCSAIBSYSA-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: 132.16 | Molecular Weight (Monoisotopic): 132.0899 | AlogP: -0.99 | #Rotatable Bonds: 4 |
| Polar Surface Area: 75.35 | Molecular Species: ZWITTERION | HBA: 3 | HBD: 3 |
| #RO5 Violations: 0 | HBA (Lipinski): 4 | HBD (Lipinski): 4 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: 2.23 | CX Basic pKa: 10.13 | CX LogP: -3.40 | CX LogD: -3.58 |
| Aromatic Rings: 0 | Heavy Atoms: 9 | QED Weighted: 0.46 | Np Likeness Score: 0.11 |
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):