| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
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ID: ALA2115541
Max Phase: Preclinical
Molecular Formula: C7H12N2O2
Molecular Weight: 156.18
Molecule Type: Small molecule
Associated Items:
Representations
Canonical SMILES: C[C@@H]1C2NCCC1N(O)C2=O
Standard InChI: InChI=1S/C7H12N2O2/c1-4-5-2-3-8-6(4)7(10)9(5)11/h4-6,8,11H,2-3H2,1H3/t4-,5?,6?/m0/s1
Standard InChI Key: BBMYJPDOXMMBJB-KXGSVCODSA-N
Associated Targets(non-human)
Glutamate (NMDA) receptor subunit zeta 1 2166 Activities
Rattus norvegicus 775804 Activities
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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 |
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Mechanisms of Action
| Mechanism of Action | Action Type | target ID | Target Name | Target Type | Target Organism | Binding Site Name | References |
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Properties
| Molecular Weight: 156.18 | Molecular Weight (Monoisotopic): 156.0899 | AlogP: -0.42 | #Rotatable Bonds: 0 |
| Polar Surface Area: 52.57 | Molecular Species: BASE | HBA: 3 | HBD: 2 |
| #RO5 Violations: 0 | HBA (Lipinski): 4 | HBD (Lipinski): 2 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: 7.70 | CX Basic pKa: 8.70 | CX LogP: -1.52 | CX LogD: -1.78 |
| Aromatic Rings: 0 | Heavy Atoms: 11 | QED Weighted: 0.47 | Np Likeness Score: 0.83 |
References
| 1. Leeson PD, Williams BJ, Rowley M, Moore KW, Baker R, Kemp JA, Priestley T, Foster AC, Donald AE. (1993) Derivatives of 1-hydroxy-3-aminopyrrolidin-2-one (HA-966). Partial agonists at the glycine site of the NMDA receptor, 3 (1): [10.1016/S0960-894X(00)80094-3] |
Source
Source(1):