| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA2207145
Max Phase: Preclinical
Molecular Formula: C10H16N2O5
Molecular Weight: 244.25
Molecule Type: Small molecule
Associated Items:
Representations
Canonical SMILES: C[C@H](N)C(=O)N1CCC[C@H]1C(=O)OCC(=O)O
Standard InChI: InChI=1S/C10H16N2O5/c1-6(11)9(15)12-4-2-3-7(12)10(16)17-5-8(13)14/h6-7H,2-5,11H2,1H3,(H,13,14)/t6-,7-/m0/s1
Standard InChI Key: QSNJFJNXNZFJTO-BQBZGAKWSA-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: 244.25 | Molecular Weight (Monoisotopic): 244.1059 | AlogP: -1.05 | #Rotatable Bonds: 4 |
| Polar Surface Area: 109.93 | Molecular Species: ACID | HBA: 5 | HBD: 2 |
| #RO5 Violations: 0 | HBA (Lipinski): 7 | HBD (Lipinski): 3 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: 3.49 | CX Basic pKa: 8.38 | CX LogP: -3.48 | CX LogD: -3.52 |
| Aromatic Rings: 0 | Heavy Atoms: 17 | QED Weighted: 0.61 | Np Likeness Score: -0.50 |
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):