| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA170572
Max Phase: Preclinical
Molecular Formula: C10H20ClNO2
Molecular Weight: 186.27
Molecule Type: Small molecule
Associated Items:
Representations
Canonical SMILES: C[N+](C)(C)[C@@H]1CCCC[C@H]1C(=O)O.[Cl-]
Standard InChI: InChI=1S/C10H19NO2.ClH/c1-11(2,3)9-7-5-4-6-8(9)10(12)13;/h8-9H,4-7H2,1-3H3;1H/t8-,9-;/m1./s1
Standard InChI Key: ORBCGEJHFVOQKL-VTLYIQCISA-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: 186.27 | Molecular Weight (Monoisotopic): 186.1489 | AlogP: 1.34 | #Rotatable Bonds: 2 |
| 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: 4.40 | CX Basic pKa: | CX LogP: -2.79 | CX LogD: -2.02 |
| Aromatic Rings: 0 | Heavy Atoms: 13 | QED Weighted: 0.66 | Np Likeness Score: 0.62 |
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):