| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA136033
Max Phase: Preclinical
Molecular Formula: C16H21NO3
Molecular Weight: 275.35
Molecule Type: Small molecule
Associated Items:
Representations
Canonical SMILES: O=C(N[C@H](C(=O)O)c1ccccc1)C1CCCCCC1
Standard InChI: InChI=1S/C16H21NO3/c18-15(13-10-4-1-2-5-11-13)17-14(16(19)20)12-8-6-3-7-9-12/h3,6-9,13-14H,1-2,4-5,10-11H2,(H,17,18)(H,19,20)/t14-/m0/s1
Standard InChI Key: YDSNUBIWBBIBJT-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: 275.35 | Molecular Weight (Monoisotopic): 275.1521 | AlogP: 2.90 | #Rotatable Bonds: 4 |
| Polar Surface Area: 66.40 | Molecular Species: ACID | HBA: 2 | HBD: 2 |
| #RO5 Violations: 0 | HBA (Lipinski): 4 | HBD (Lipinski): 2 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: 4.08 | CX Basic pKa: | CX LogP: 3.17 | CX LogD: 0.05 |
| Aromatic Rings: 1 | Heavy Atoms: 20 | QED Weighted: 0.83 | Np Likeness Score: -0.72 |
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):