| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA2207133
Max Phase: Preclinical
Molecular Formula: C16H21N3O6
Molecular Weight: 351.36
Molecule Type: Protein
Associated Items:
Representations
Canonical SMILES: C[C@H](NC(=O)CN)C(=O)N[C@@H](Cc1ccccc1)C(=O)OCC(=O)O
Standard InChI: InChI=1S/C16H21N3O6/c1-10(18-13(20)8-17)15(23)19-12(16(24)25-9-14(21)22)7-11-5-3-2-4-6-11/h2-6,10,12H,7-9,17H2,1H3,(H,18,20)(H,19,23)(H,21,22)/t10-,12-/m0/s1
Standard InChI Key: VQDVDJQYFIVYCL-JQWIXIFHSA-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: Protein | 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: 351.36 | Molecular Weight (Monoisotopic): 351.1430 | AlogP: -1.19 | #Rotatable Bonds: 9 |
| Polar Surface Area: 147.82 | Molecular Species: ACID | HBA: 6 | HBD: 4 |
| #RO5 Violations: 0 | HBA (Lipinski): 9 | HBD (Lipinski): 5 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: 3.79 | CX Basic pKa: 7.84 | CX LogP: -3.21 | CX LogD: -3.33 |
| Aromatic Rings: 1 | Heavy Atoms: 25 | QED Weighted: 0.41 | 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):