| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA4638204
Max Phase: Preclinical
Molecular Formula: C18H34O2
Molecular Weight: 282.47
Molecule Type: Unknown
Associated Items:
Representations
Canonical SMILES: CCCCCCCCCCCC(C(=O)O)C1CCCC1
Standard InChI: InChI=1S/C18H34O2/c1-2-3-4-5-6-7-8-9-10-15-17(18(19)20)16-13-11-12-14-16/h16-17H,2-15H2,1H3,(H,19,20)
Standard InChI Key: CUSUHQDXXFSOQD-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: 282.47 | Molecular Weight (Monoisotopic): 282.2559 | AlogP: 5.80 | #Rotatable Bonds: 12 |
| 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: 4.95 | CX Basic pKa: | CX LogP: 6.62 | CX LogD: 4.20 |
| Aromatic Rings: 0 | Heavy Atoms: 20 | QED Weighted: 0.46 | Np Likeness Score: 0.72 |
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):