| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA1907793
Max Phase: Preclinical
Molecular Formula: C14H18N2O5
Molecular Weight: 294.31
Molecule Type: Small molecule
Associated Items:
Representations
Canonical SMILES: CN(O)C(=O)C[C@@H](Cc1ccccc1)NC(=O)CC(=O)O
Standard InChI: InChI=1S/C14H18N2O5/c1-16(21)13(18)8-11(15-12(17)9-14(19)20)7-10-5-3-2-4-6-10/h2-6,11,21H,7-9H2,1H3,(H,15,17)(H,19,20)/t11-/m1/s1
Standard InChI Key: FYAZBRHWEJKQDO-LLVKDONJSA-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: 294.31 | Molecular Weight (Monoisotopic): 294.1216 | AlogP: 0.43 | #Rotatable Bonds: 7 |
| 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: 3.94 | CX Basic pKa: | CX LogP: 0.29 | CX LogD: -2.94 |
| Aromatic Rings: 1 | Heavy Atoms: 21 | QED Weighted: 0.38 | Np Likeness Score: -0.21 |
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):