| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA171491
Max Phase: Preclinical
Molecular Formula: C7H14ClNO3
Molecular Weight: 160.19
Molecule Type: Small molecule
Associated Items:
Representations
Canonical SMILES: C[N+]1(C)C[C@H](O)C[C@H]1C(=O)O.[Cl-]
Standard InChI: InChI=1S/C7H13NO3.ClH/c1-8(2)4-5(9)3-6(8)7(10)11;/h5-6,9H,3-4H2,1-2H3;1H/t5-,6+;/m1./s1
Standard InChI Key: GGQVAWGGOKAHNP-IBTYICNHSA-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: 160.19 | Molecular Weight (Monoisotopic): 160.0968 | AlogP: -0.72 | #Rotatable Bonds: 1 |
| Polar Surface Area: 57.53 | Molecular Species: ACID | HBA: 2 | HBD: 2 |
| #RO5 Violations: 0 | HBA (Lipinski): 4 | HBD (Lipinski): 2 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: 2.06 | CX Basic pKa: | CX LogP: -5.02 | CX LogD: -4.25 |
| Aromatic Rings: 0 | Heavy Atoms: 11 | QED Weighted: 0.50 | Np Likeness Score: 2.30 |
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):