| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA4646072
Max Phase: Preclinical
Molecular Formula: C17H32O2
Molecular Weight: 268.44
Molecule Type: Unknown
Associated Items:
Representations
Canonical SMILES: CCCCCCCC(CCC1CCCCC1)C(=O)O
Standard InChI: InChI=1S/C17H32O2/c1-2-3-4-5-9-12-16(17(18)19)14-13-15-10-7-6-8-11-15/h15-16H,2-14H2,1H3,(H,18,19)
Standard InChI Key: PHQGYGMOSFKQOP-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: 268.44 | Molecular Weight (Monoisotopic): 268.2402 | AlogP: 5.41 | #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: 5.20 | CX Basic pKa: | CX LogP: 6.18 | CX LogD: 4.00 |
| Aromatic Rings: 0 | Heavy Atoms: 19 | QED Weighted: 0.54 | Np Likeness Score: 0.69 |
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):