| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA337513
Max Phase: Preclinical
Molecular Formula: C13H24N4O3
Molecular Weight: 284.36
Molecule Type: Small molecule
Associated Items:
Representations
Canonical SMILES: N=C(N)NCCC[C@H](NC(=O)C1CCCCC1)C(=O)O
Standard InChI: InChI=1S/C13H24N4O3/c14-13(15)16-8-4-7-10(12(19)20)17-11(18)9-5-2-1-3-6-9/h9-10H,1-8H2,(H,17,18)(H,19,20)(H4,14,15,16)/t10-/m0/s1
Standard InChI Key: QPUVUJDDEUTVKB-JTQLQIEISA-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: 284.36 | Molecular Weight (Monoisotopic): 284.1848 | AlogP: 0.40 | #Rotatable Bonds: 7 |
| Polar Surface Area: 128.30 | Molecular Species: ZWITTERION | HBA: 3 | HBD: 5 |
| #RO5 Violations: 0 | HBA (Lipinski): 7 | HBD (Lipinski): 6 | #RO5 Violations (Lipinski): 1 |
| CX Acidic pKa: 3.76 | CX Basic pKa: 12.06 | CX LogP: -1.20 | CX LogD: -1.20 |
| Aromatic Rings: 0 | Heavy Atoms: 20 | QED Weighted: 0.26 | Np Likeness Score: -0.11 |
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):