| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA4641801
Max Phase: Preclinical
Molecular Formula: C16H30O2
Molecular Weight: 254.41
Molecule Type: Unknown
Associated Items:
Representations
Canonical SMILES: CCCCCCCC(CCC1CCCC1)C(=O)O
Standard InChI: InChI=1S/C16H30O2/c1-2-3-4-5-6-11-15(16(17)18)13-12-14-9-7-8-10-14/h14-15H,2-13H2,1H3,(H,17,18)
Standard InChI Key: ZBKYVSKLBCIHDI-UHFFFAOYSA-N
Associated Targets(non-human)
Mycobacterium leprae 477 Activities
Molecule Features
| Natural Product: No | Oral: No | Chemical Probe: No | Parenteral: No |
| Molecule Type: Unknown | 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: 254.41 | Molecular Weight (Monoisotopic): 254.2246 | AlogP: 5.02 | #Rotatable Bonds: 10 |
| Polar Surface Area: 37.30 | Molecular Species: ACID | HBA: 1 | HBD: 1 |
| #RO5 Violations: 1 | HBA (Lipinski): 2 | HBD (Lipinski): 1 | #RO5 Violations (Lipinski): 1 |
| CX Acidic pKa: 5.18 | CX Basic pKa: | CX LogP: 5.73 | CX LogD: 3.53 |
| Aromatic Rings: 0 | Heavy Atoms: 18 | QED Weighted: 0.56 | Np Likeness Score: 0.74 |
References
| 1. Bera S, Mondal D.. (2019) Insights of synthetic analogues of anti-leprosy agents., 27 (13): [PMID:31103404] [10.1016/j.bmc.2019.04.032] |
Source
Source(1):