| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA2207131
Max Phase: Preclinical
Molecular Formula: C11H13NO4
Molecular Weight: 223.23
Molecule Type: Small molecule
Associated Items:
Representations
Canonical SMILES: N[C@@H](Cc1ccccc1)C(=O)OCC(=O)O
Standard InChI: InChI=1S/C11H13NO4/c12-9(11(15)16-7-10(13)14)6-8-4-2-1-3-5-8/h1-5,9H,6-7,12H2,(H,13,14)/t9-/m0/s1
Standard InChI Key: GXNXKYLDEYCTMX-VIFPVBQESA-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: 223.23 | Molecular Weight (Monoisotopic): 223.0845 | AlogP: 0.18 | #Rotatable Bonds: 5 |
| Polar Surface Area: 89.62 | Molecular Species: ACID | HBA: 4 | HBD: 2 |
| #RO5 Violations: 0 | HBA (Lipinski): 5 | HBD (Lipinski): 3 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: 3.55 | CX Basic pKa: 6.97 | CX LogP: -1.55 | CX LogD: -2.05 |
| Aromatic Rings: 1 | Heavy Atoms: 16 | QED Weighted: 0.70 | Np Likeness Score: 0.11 |
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):