| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA132534
Max Phase: Preclinical
Molecular Formula: C13H24N2O3
Molecular Weight: 256.35
Molecule Type: Small molecule
Associated Items:
Representations
Canonical SMILES: NCCCC[C@H](NC(=O)C1CCCCC1)C(=O)O
Standard InChI: InChI=1S/C13H24N2O3/c14-9-5-4-8-11(13(17)18)15-12(16)10-6-2-1-3-7-10/h10-11H,1-9,14H2,(H,15,16)(H,17,18)/t11-/m0/s1
Standard InChI Key: VWAUILXXCNWFEY-NSHDSACASA-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: 256.35 | Molecular Weight (Monoisotopic): 256.1787 | AlogP: 1.27 | #Rotatable Bonds: 7 |
| Polar Surface Area: 92.42 | Molecular Species: ZWITTERION | HBA: 3 | HBD: 3 |
| #RO5 Violations: 0 | HBA (Lipinski): 5 | HBD (Lipinski): 4 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: 4.02 | CX Basic pKa: 10.21 | CX LogP: -1.04 | CX LogD: -1.04 |
| Aromatic Rings: 0 | Heavy Atoms: 18 | QED Weighted: 0.60 | Np Likeness Score: -0.05 |
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):