| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA4636561
Max Phase: Preclinical
Molecular Formula: C14H3F6NO2
Molecular Weight: 331.17
Molecule Type: Unknown
Associated Items:
Representations
Canonical SMILES: O=C1c2c(F)c(F)c(F)c(F)c2C(=O)N1c1ccc(F)c(F)c1
Standard InChI: InChI=1S/C14H3F6NO2/c15-5-2-1-4(3-6(5)16)21-13(22)7-8(14(21)23)10(18)12(20)11(19)9(7)17/h1-3H
Standard InChI Key: XYYLHLROFMWOSQ-UHFFFAOYSA-N
Associated Targets(Human)
Monocyte 474 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: 331.17 | Molecular Weight (Monoisotopic): 331.0068 | AlogP: 3.32 | #Rotatable Bonds: 1 |
| Polar Surface Area: 37.38 | Molecular Species: NEUTRAL | HBA: 2 | HBD: 0 |
| #RO5 Violations: 0 | HBA (Lipinski): 3 | HBD (Lipinski): 0 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: | CX Basic pKa: | CX LogP: 3.43 | CX LogD: 3.43 |
| Aromatic Rings: 2 | Heavy Atoms: 23 | QED Weighted: 0.35 | Np Likeness Score: -1.23 |
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):