| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA2207134
Max Phase: Preclinical
Molecular Formula: C17H28N4O6
Molecular Weight: 384.43
Molecule Type: Protein
Associated Items:
Representations
Canonical SMILES: CC(=O)N1CCC[C@H]1C(=O)N[C@@H](CC(C)C)C(=O)NCC(=O)NCC(=O)O
Standard InChI: InChI=1S/C17H28N4O6/c1-10(2)7-12(16(26)19-8-14(23)18-9-15(24)25)20-17(27)13-5-4-6-21(13)11(3)22/h10,12-13H,4-9H2,1-3H3,(H,18,23)(H,19,26)(H,20,27)(H,24,25)/t12-,13-/m0/s1
Standard InChI Key: DNVPRVJXKWSYMH-STQMWFEESA-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: 384.43 | Molecular Weight (Monoisotopic): 384.2009 | AlogP: -1.15 | #Rotatable Bonds: 9 |
| Polar Surface Area: 144.91 | Molecular Species: ACID | HBA: 5 | HBD: 4 |
| #RO5 Violations: 0 | HBA (Lipinski): 10 | HBD (Lipinski): 4 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: 3.61 | CX Basic pKa: | CX LogP: -1.98 | CX LogD: -5.32 |
| Aromatic Rings: 0 | Heavy Atoms: 27 | QED Weighted: 0.39 | Np Likeness Score: -0.59 |
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):