| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA1907968
Max Phase: Preclinical
Molecular Formula: C12H14N2O5
Molecular Weight: 266.25
Molecule Type: Small molecule
Associated Items:
Representations
Canonical SMILES: O=C(O)CC(=O)N[C@@H](Cc1ccccc1)C(=O)NO
Standard InChI: InChI=1S/C12H14N2O5/c15-10(7-11(16)17)13-9(12(18)14-19)6-8-4-2-1-3-5-8/h1-5,9,19H,6-7H2,(H,13,15)(H,14,18)(H,16,17)/t9-/m0/s1
Standard InChI Key: NZANRTNJFDQLKN-VIFPVBQESA-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: 266.25 | Molecular Weight (Monoisotopic): 266.0903 | AlogP: -0.31 | #Rotatable Bonds: 6 |
| Polar Surface Area: 115.73 | Molecular Species: ACID | HBA: 4 | HBD: 4 |
| #RO5 Violations: 0 | HBA (Lipinski): 7 | HBD (Lipinski): 4 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: 3.80 | CX Basic pKa: | CX LogP: -0.02 | CX LogD: -3.30 |
| Aromatic Rings: 1 | Heavy Atoms: 19 | QED Weighted: 0.32 | Np Likeness Score: -0.01 |
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):