| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA352658
Max Phase: Preclinical
Molecular Formula: C8H16ClNO2
Molecular Weight: 158.22
Molecule Type: Small molecule
Associated Items:
Representations
Canonical SMILES: C[N+]1(C)CCCC(C(=O)O)C1.[Cl-]
Standard InChI: InChI=1S/C8H15NO2.ClH/c1-9(2)5-3-4-7(6-9)8(10)11;/h7H,3-6H2,1-2H3;1H
Standard InChI Key: LXZKZZTXUVBBMN-UHFFFAOYSA-N
Associated Targets(non-human)
Carnitine/acylcarnitine translocase 26 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: 158.22 | Molecular Weight (Monoisotopic): 158.1176 | AlogP: 0.56 | #Rotatable Bonds: 1 |
| Polar Surface Area: 37.30 | Molecular Species: ACID | HBA: 1 | HBD: 1 |
| #RO5 Violations: 0 | HBA (Lipinski): 3 | HBD (Lipinski): 1 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: 4.21 | CX Basic pKa: | CX LogP: -3.74 | CX LogD: -2.97 |
| Aromatic Rings: 0 | Heavy Atoms: 11 | QED Weighted: 0.57 | Np Likeness Score: 0.74 |
References
| 1. Woster PM, Murray WJ.. (1986) Synthesis and biological evaluation of cyclic analogues of 1-carnitine as potential agents in the treatment of myocardial ischemia., 29 (5): [PMID:3084787] [10.1021/jm00155a045] |
Source
Source(1):