| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA69146
Max Phase: Preclinical
Molecular Formula: C6H16N2O
Molecular Weight: 132.21
Molecule Type: Small molecule
Associated Items:
Representations
Canonical SMILES: NCCCC[C@@H](N)CO
Standard InChI: InChI=1S/C6H16N2O/c7-4-2-1-3-6(8)5-9/h6,9H,1-5,7-8H2/t6-/m1/s1
Standard InChI Key: LTGPFZWZZNUIIK-ZCFIWIBFSA-N
Associated Targets(non-human)
Aminopeptidase B 89 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: 132.21 | Molecular Weight (Monoisotopic): 132.1263 | AlogP: -0.57 | #Rotatable Bonds: 5 |
| Polar Surface Area: 72.27 | Molecular Species: BASE | HBA: 3 | HBD: 3 |
| #RO5 Violations: 0 | HBA (Lipinski): 3 | HBD (Lipinski): 5 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: | CX Basic pKa: 10.36 | CX LogP: -1.03 | CX LogD: -5.97 |
| Aromatic Rings: 0 | Heavy Atoms: 9 | QED Weighted: 0.44 | Np Likeness Score: 1.60 |
References
| 1. Ocain TD, Rich DH.. (1988) Synthesis of sulfur-containing analogues of bestatin. Inhibition of aminopeptidases by alpha-thiolbestatin analogues., 31 (11): [PMID:3184126] [10.1021/jm00119a022] |
Source
Source(1):