| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA339183
Max Phase: Preclinical
Molecular Formula: C15H13NO4
Molecular Weight: 271.27
Molecule Type: Small molecule
Associated Items:
Representations
Canonical SMILES: O=C(N[C@H](C(=O)O)c1ccccc1)c1ccccc1O
Standard InChI: InChI=1S/C15H13NO4/c17-12-9-5-4-8-11(12)14(18)16-13(15(19)20)10-6-2-1-3-7-10/h1-9,13,17H,(H,16,18)(H,19,20)/t13-/m0/s1
Standard InChI Key: LXYHTGWTCOVRQU-ZDUSSCGKSA-N
Associated Targets(non-human)
Monkey 844 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: 271.27 | Molecular Weight (Monoisotopic): 271.0845 | AlogP: 1.95 | #Rotatable Bonds: 4 |
| Polar Surface Area: 86.63 | Molecular Species: ACID | HBA: 3 | HBD: 3 |
| #RO5 Violations: 0 | HBA (Lipinski): 5 | HBD (Lipinski): 3 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: 3.42 | CX Basic pKa: | CX LogP: 2.81 | CX LogD: -0.65 |
| Aromatic Rings: 2 | Heavy Atoms: 20 | QED Weighted: 0.79 | Np Likeness Score: -0.54 |
References
| 1. Leone-Bay A, Santiago N, Achan D, Chaudhary K, DeMorin F, Falzarano L, Haas S, Kalbag S, Kaplan D, Leipold H.. (1995) N-acylated alpha-amino acids as novel oral delivery agents for proteins., 38 (21): [PMID:7473553] [10.1021/jm00021a015] |
Source
Source(1):