| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA135927
Max Phase: Preclinical
Molecular Formula: C16H21NO4
Molecular Weight: 291.35
Molecule Type: Small molecule
Associated Items:
Representations
Canonical SMILES: O=C(N[C@@H](Cc1ccc(O)cc1)C(=O)O)C1CCCCC1
Standard InChI: InChI=1S/C16H21NO4/c18-13-8-6-11(7-9-13)10-14(16(20)21)17-15(19)12-4-2-1-3-5-12/h6-9,12,14,18H,1-5,10H2,(H,17,19)(H,20,21)/t14-/m0/s1
Standard InChI Key: UVKQGLBZUOHBOX-AWEZNQCLSA-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: 291.35 | Molecular Weight (Monoisotopic): 291.1471 | AlogP: 2.08 | #Rotatable Bonds: 5 |
| 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: 3.90 | CX Basic pKa: | CX LogP: 2.71 | CX LogD: -0.51 |
| Aromatic Rings: 1 | Heavy Atoms: 21 | QED Weighted: 0.77 | Np Likeness Score: -0.18 |
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):