| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA2207149
Max Phase: Preclinical
Molecular Formula: C24H34N4O6
Molecular Weight: 474.56
Molecule Type: Protein
Associated Items:
Representations
Canonical SMILES: CC(=O)N1CCC[C@H]1C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1ccccc1)C(=O)NCC(=O)O
Standard InChI: InChI=1S/C24H34N4O6/c1-15(2)12-18(27-24(34)20-10-7-11-28(20)16(3)29)23(33)26-19(22(32)25-14-21(30)31)13-17-8-5-4-6-9-17/h4-6,8-9,15,18-20H,7,10-14H2,1-3H3,(H,25,32)(H,26,33)(H,27,34)(H,30,31)/t18-,19-,20-/m0/s1
Standard InChI Key: JGBONPYKICEYHA-UFYCRDLUSA-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: 474.56 | Molecular Weight (Monoisotopic): 474.2478 | AlogP: 0.46 | #Rotatable Bonds: 11 |
| 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: 3.80 | CX Basic pKa: | CX LogP: 0.24 | CX LogD: -3.02 |
| Aromatic Rings: 1 | Heavy Atoms: 34 | QED Weighted: 0.37 | Np Likeness Score: -0.28 |
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):