| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA2207144
Max Phase: Preclinical
Molecular Formula: C7H11NO4
Molecular Weight: 173.17
Molecule Type: Small molecule
Associated Items:
Representations
Canonical SMILES: O=C(O)COC(=O)[C@@H]1CCCN1
Standard InChI: InChI=1S/C7H11NO4/c9-6(10)4-12-7(11)5-2-1-3-8-5/h5,8H,1-4H2,(H,9,10)/t5-/m0/s1
Standard InChI Key: LYNHVQJBAXNJBW-YFKPBYRVSA-N
Associated Targets(Human)
Peptidyl-glycine alpha-amidating monooxygenase 90 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: 173.17 | Molecular Weight (Monoisotopic): 173.0688 | AlogP: -0.63 | #Rotatable Bonds: 3 |
| Polar Surface Area: 75.63 | Molecular Species: ACID | HBA: 4 | HBD: 2 |
| #RO5 Violations: 0 | HBA (Lipinski): 5 | HBD (Lipinski): 2 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: 3.45 | CX Basic pKa: 7.45 | CX LogP: -2.94 | CX LogD: -3.18 |
| Aromatic Rings: 0 | Heavy Atoms: 12 | QED Weighted: 0.56 | Np Likeness Score: 0.29 |
References
| 1. Morris KM, Cao F, Onagi H, Altamore TM, Gamble AB, Easton CJ.. (2012) Prohormone-substrate peptide sequence recognition by peptidylglycine α-amidating monooxygenase and its reflection in increased glycolate inhibitor potency., 22 (23): [PMID:23084901] [10.1016/j.bmcl.2012.10.004] |
Source
Source(1):