| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA4635737
Max Phase: Preclinical
Molecular Formula: C16H28O2
Molecular Weight: 252.40
Molecule Type: Unknown
Associated Items:
Representations
Canonical SMILES: CCCCCCCCCC(C(=O)O)C1C=CCC1
Standard InChI: InChI=1S/C16H28O2/c1-2-3-4-5-6-7-8-13-15(16(17)18)14-11-9-10-12-14/h9,11,14-15H,2-8,10,12-13H2,1H3,(H,17,18)
Standard InChI Key: INBZMJRONOKPCH-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: 252.40 | Molecular Weight (Monoisotopic): 252.2089 | AlogP: 4.79 | #Rotatable Bonds: 10 |
| Polar Surface Area: 37.30 | Molecular Species: ACID | HBA: 1 | HBD: 1 |
| #RO5 Violations: 0 | HBA (Lipinski): 2 | HBD (Lipinski): 1 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: 4.90 | CX Basic pKa: | CX LogP: 5.37 | CX LogD: 2.91 |
| Aromatic Rings: 0 | Heavy Atoms: 18 | QED Weighted: 0.45 | Np Likeness Score: 1.41 |
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):