| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
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ID: ALA26845
Max Phase: Preclinical
Molecular Formula: C9H14NO3P
Molecular Weight: 215.19
Molecule Type: Small molecule
Associated Items:
Representations
Canonical SMILES: NC(Cc1ccccc1)CP(=O)(O)O
Standard InChI: InChI=1S/C9H14NO3P/c10-9(7-14(11,12)13)6-8-4-2-1-3-5-8/h1-5,9H,6-7,10H2,(H2,11,12,13)
Standard InChI Key: CRXXBOZEENXCFJ-UHFFFAOYSA-N
Associated Targets(Human)
ENPEP Tchem Aminopeptidase A (70 Activities)
ANPEP Tchem Aminopeptidase N (863 Activities)
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Associated Targets(non-human)
ANPEP Aminopeptidase N (1645 Activities)
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
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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 |
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Mechanisms of Action
| Mechanism of Action | Action Type | target ID | Target Name | Target Type | Target Organism | Binding Site Name | References |
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Properties
| Molecular Weight: 215.19 | Molecular Weight (Monoisotopic): 215.0711 | AlogP: 0.73 | #Rotatable Bonds: 4 |
| Polar Surface Area: 83.55 | Molecular Species: ZWITTERION | HBA: 2 | HBD: 3 |
| #RO5 Violations: 0 | HBA (Lipinski): 4 | HBD (Lipinski): 4 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: 1.53 | CX Basic pKa: 10.28 | CX LogP: -1.11 | CX LogD: -1.19 |
| Aromatic Rings: 1 | Heavy Atoms: 14 | QED Weighted: 0.65 | Np Likeness Score: 0.23 |
References
| 1. Fournié-Zaluski MC, Coric P, Turcaud S, Bruetschy L, Lucas E, Noble F, Roques BP.. (1992) Potent and systemically active aminopeptidase N inhibitors designed from active-site investigation., 35 (7): [PMID:1348542] [10.1021/jm00085a013] |
| 2. Chauvel EN, Coric P, Llorens-Cortès C, Wilk S, Roques BP, Fournié-Zaluski MC.. (1994) Investigation of the active site of aminopeptidase A using a series of new thiol-containing inhibitors., 37 (9): [PMID:7909847] [10.1021/jm00035a014] |
Source
Source(1):