| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA1907791
Max Phase: Preclinical
Molecular Formula: C13H16N2O5
Molecular Weight: 280.28
Molecule Type: Small molecule
Associated Items:
Representations
Canonical SMILES: O=C(O)CC(=O)N[C@H](CC(=O)NO)Cc1ccccc1
Standard InChI: InChI=1S/C13H16N2O5/c16-11(8-13(18)19)14-10(7-12(17)15-20)6-9-4-2-1-3-5-9/h1-5,10,20H,6-8H2,(H,14,16)(H,15,17)(H,18,19)/t10-/m0/s1
Standard InChI Key: MHGFNVGMPJLBGK-JTQLQIEISA-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: 0.08 | #Rotatable Bonds: 7 |
| 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: 3.88 | CX Basic pKa: | CX LogP: 0.06 | CX LogD: -3.18 |
| Aromatic Rings: 1 | Heavy Atoms: 20 | QED Weighted: 0.32 | Np Likeness Score: 0.13 |
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):