| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA5271958
Max Phase: Preclinical
Molecular Formula: C20H15FN4O3
Molecular Weight: 378.36
Associated Items:
Representations
Canonical SMILES: Cc1c(-c2cnc(N)c(C#N)c2)c(F)cc2c(=O)c(C(=O)O)cn(C3CC3)c12
Standard InChI: InChI=1S/C20H15FN4O3/c1-9-16(11-4-10(6-22)19(23)24-7-11)15(21)5-13-17(9)25(12-2-3-12)8-14(18(13)26)20(27)28/h4-5,7-8,12H,2-3H2,1H3,(H2,23,24)(H,27,28)
Standard InChI Key: DTSKYQBTFHFYAZ-UHFFFAOYSA-N
Associated Targets(non-human)
Clostridioides difficile 2968 Activities
Molecule Features
| Natural Product: No | Oral: No | Chemical Probe: No | Parenteral: No |
| Molecule Type: | 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: 378.36 | Molecular Weight (Monoisotopic): 378.1128 | AlogP: 3.00 | #Rotatable Bonds: 3 |
| Polar Surface Area: 122.00 | Molecular Species: ACID | HBA: 6 | HBD: 2 |
| #RO5 Violations: 0 | HBA (Lipinski): 7 | HBD (Lipinski): 3 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: 5.92 | CX Basic pKa: 2.56 | CX LogP: 2.55 | CX LogD: 1.05 |
| Aromatic Rings: 3 | Heavy Atoms: 28 | QED Weighted: 0.72 | Np Likeness Score: -0.64 |
References
| 1. Jia Y, Zhao L.. (2021) The antibacterial activity of fluoroquinolone derivatives: An update (2018-2021)., 224 [PMID:34365130] [10.1016/j.ejmech.2021.113741] |
Source
Source(1):