| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA2207137
Max Phase: Preclinical
Molecular Formula: C17H29N5O6
Molecular Weight: 399.45
Molecule Type: Protein
Associated Items:
Representations
Canonical SMILES: CC(C)[C@H](N)C(=O)NCC(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)NCC(=O)O
Standard InChI: InChI=1S/C17H29N5O6/c1-9(2)14(18)16(27)19-7-12(23)21-10(3)17(28)22-6-4-5-11(22)15(26)20-8-13(24)25/h9-11,14H,4-8,18H2,1-3H3,(H,19,27)(H,20,26)(H,21,23)(H,24,25)/t10-,11-,14-/m0/s1
Standard InChI Key: KGRJWMZFVYOGDR-MJVIPROJSA-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: 399.45 | Molecular Weight (Monoisotopic): 399.2118 | AlogP: -2.22 | #Rotatable Bonds: 9 |
| Polar Surface Area: 170.93 | Molecular Species: ACID | HBA: 6 | HBD: 5 |
| #RO5 Violations: 0 | HBA (Lipinski): 11 | HBD (Lipinski): 6 | #RO5 Violations (Lipinski): 2 |
| CX Acidic pKa: 3.85 | CX Basic pKa: 8.21 | CX LogP: -4.97 | CX LogD: -5.02 |
| Aromatic Rings: 0 | Heavy Atoms: 28 | QED Weighted: 0.29 | Np Likeness Score: -0.67 |
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):