| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA5278021
Max Phase: Preclinical
Molecular Formula: C18H16FN7O3
Molecular Weight: 397.37
Associated Items:
Representations
Canonical SMILES: CC(=O)NC[C@H]1CN(c2ccc(-c3cnc(-n4cncn4)nc3)c(F)c2)C(=O)O1
Standard InChI: InChI=1S/C18H16FN7O3/c1-11(27)21-7-14-8-25(18(28)29-14)13-2-3-15(16(19)4-13)12-5-22-17(23-6-12)26-10-20-9-24-26/h2-6,9-10,14H,7-8H2,1H3,(H,21,27)/t14-/m0/s1
Standard InChI Key: UONUBOCPQDIAGF-AWEZNQCLSA-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: 397.37 | Molecular Weight (Monoisotopic): 397.1299 | AlogP: 1.32 | #Rotatable Bonds: 5 |
| Polar Surface Area: 115.13 | Molecular Species: NEUTRAL | HBA: 8 | HBD: 1 |
| #RO5 Violations: 0 | HBA (Lipinski): 10 | HBD (Lipinski): 1 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: | CX Basic pKa: 1.02 | CX LogP: 0.55 | CX LogD: 0.55 |
| Aromatic Rings: 3 | Heavy Atoms: 29 | QED Weighted: 0.69 | Np Likeness Score: -1.79 |
References
| 1. Fernandes GFS, Scarim CB, Kim SH, Wu J, Castagnolo D.. (2023) Oxazolidinones as versatile scaffolds in medicinal chemistry., 14 (5): [PMID:37252095] [10.1039/d2md00415a] |
Source
Source(1):