| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA1907792
Max Phase: Preclinical
Molecular Formula: C13H16N2O5
Molecular Weight: 280.28
Molecule Type: Small molecule
Associated Items:
Representations
Canonical SMILES: CN(O)C(=O)[C@@H](Cc1ccccc1)NC(=O)CC(=O)O
Standard InChI: InChI=1S/C13H16N2O5/c1-15(20)13(19)10(14-11(16)8-12(17)18)7-9-5-3-2-4-6-9/h2-6,10,20H,7-8H2,1H3,(H,14,16)(H,17,18)/t10-/m1/s1
Standard InChI Key: XEEJPKGVNLANLU-SNVBAGLBSA-N
Associated Targets(non-human)
Neprilysin 341 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: 280.28 | Molecular Weight (Monoisotopic): 280.1059 | AlogP: 0.04 | #Rotatable Bonds: 6 |
| Polar Surface Area: 106.94 | Molecular Species: ACID | HBA: 4 | HBD: 3 |
| #RO5 Violations: 0 | HBA (Lipinski): 7 | HBD (Lipinski): 3 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: 3.88 | CX Basic pKa: | CX LogP: 0.20 | CX LogD: -3.07 |
| Aromatic Rings: 1 | Heavy Atoms: 20 | QED Weighted: 0.39 | Np Likeness Score: -0.18 |
References
| 1. Hernandez JF, Soleilhac JM, Roques BP, Fournié-Zaluski MC.. (1988) Retro-inverso concept applied to the complete inhibitors of enkephalin-degrading enzymes., 31 (9): [PMID:2900898] [10.1021/jm00117a025] |
Source
Source(1):