| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA295971
Max Phase: Preclinical
Molecular Formula: C5H9NO3
Molecular Weight: 131.13
Molecule Type: Small molecule
Associated Items:
Representations
Canonical SMILES: CO/C=C\[C@H](N)C(=O)O
Standard InChI: InChI=1S/C5H9NO3/c1-9-3-2-4(6)5(7)8/h2-4H,6H2,1H3,(H,7,8)/b3-2-/t4-/m0/s1
Standard InChI Key: HLOPMQJRUIOMJO-SWOZAWMQSA-N
Associated Targets(non-human)
S-adenosylmethionine synthetase alpha and beta forms 31 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: 131.13 | Molecular Weight (Monoisotopic): 131.0582 | AlogP: -0.44 | #Rotatable Bonds: 3 |
| Polar Surface Area: 72.55 | Molecular Species: ZWITTERION | HBA: 3 | HBD: 2 |
| #RO5 Violations: 0 | HBA (Lipinski): 4 | HBD (Lipinski): 3 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: 2.19 | CX Basic pKa: 8.88 | CX LogP: -2.94 | CX LogD: -2.96 |
| Aromatic Rings: 0 | Heavy Atoms: 9 | QED Weighted: 0.51 | Np Likeness Score: 1.25 |
References
| 1. Lavrador K, Guillerm D, Guillerm G.. (1998) A new series of cyclic amino acids as inhibitors of S-adenosyl L-methionine synthetase., 8 (13): [PMID:9873403] [10.1016/s0960-894x(98)00267-4] |
Source
Source(1):