| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA4764996
Max Phase: Preclinical
Molecular Formula: C10H7FN2OS
Molecular Weight: 222.24
Molecule Type: Unknown
Associated Items:
Representations
Canonical SMILES: O=C1NC(=S)N/C1=C\c1ccc(F)cc1
Standard InChI: InChI=1S/C10H7FN2OS/c11-7-3-1-6(2-4-7)5-8-9(14)13-10(15)12-8/h1-5H,(H2,12,13,14,15)/b8-5-
Standard InChI Key: ISEWJUFUPBFYNZ-YVMONPNESA-N
Associated Targets(non-human)
Quinolone resistance protein norA 2171 Activities
Staphylococcus aureus 210822 Activities
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
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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: 222.24 | Molecular Weight (Monoisotopic): 222.0263 | AlogP: 1.17 | #Rotatable Bonds: 1 |
| Polar Surface Area: 41.13 | Molecular Species: NEUTRAL | HBA: 2 | HBD: 2 |
| #RO5 Violations: 0 | HBA (Lipinski): 3 | HBD (Lipinski): 2 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: 7.85 | CX Basic pKa: | CX LogP: 1.71 | CX LogD: 1.58 |
| Aromatic Rings: 1 | Heavy Atoms: 15 | QED Weighted: 0.55 | Np Likeness Score: -1.29 |
References
| 1. Faillace MS,Alves Borges Leal AL,Araújo de Oliveira Alcântara F,Ferreira JHL,de Siqueira-Júnior JP,Sampaio Nogueira CE,Barreto HM,Peláez WJ. (2021) Inhibition of the NorA efflux pump of S. aureus by (Z)-5-(4-Fluorobenzylidene)-Imidazolidines., 31 [PMID:33161124] [10.1016/j.bmcl.2020.127670] |
Source
Source(1):