| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA133078
Max Phase: Preclinical
Molecular Formula: C13H23NO3
Molecular Weight: 241.33
Molecule Type: Small molecule
Associated Items:
Representations
Canonical SMILES: CCC(C)[C@H](NC(=O)C1CCCCC1)C(=O)O
Standard InChI: InChI=1S/C13H23NO3/c1-3-9(2)11(13(16)17)14-12(15)10-7-5-4-6-8-10/h9-11H,3-8H2,1-2H3,(H,14,15)(H,16,17)/t9?,11-/m0/s1
Standard InChI Key: QORCWNWPCNBPOT-UMJHXOGRSA-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: 241.33 | Molecular Weight (Monoisotopic): 241.1678 | AlogP: 2.18 | #Rotatable Bonds: 5 |
| 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: 4.33 | CX Basic pKa: | CX LogP: 2.69 | CX LogD: -0.26 |
| Aromatic Rings: 0 | Heavy Atoms: 17 | QED Weighted: 0.77 | Np Likeness Score: -0.49 |
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):