| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA5194954
Max Phase: Preclinical
Molecular Formula: C12H10FNO3
Molecular Weight: 235.21
Associated Items:
Representations
Canonical SMILES: CCOC(=O)c1cc(=O)c2cccc(F)c2[nH]1
Standard InChI: InChI=1S/C12H10FNO3/c1-2-17-12(16)9-6-10(15)7-4-3-5-8(13)11(7)14-9/h3-6H,2H2,1H3,(H,14,15)
Standard InChI Key: UTFHTYIOTDUYKY-UHFFFAOYSA-N
Associated Targets(Human)
C-type lectin domain family 4 member M 115 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: 235.21 | Molecular Weight (Monoisotopic): 235.0645 | AlogP: 1.84 | #Rotatable Bonds: 2 |
| Polar Surface Area: 59.16 | Molecular Species: NEUTRAL | HBA: 3 | HBD: 1 |
| #RO5 Violations: 0 | HBA (Lipinski): 4 | HBD (Lipinski): 1 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: 10.12 | CX Basic pKa: | CX LogP: 2.46 | CX LogD: 2.46 |
| Aromatic Rings: 2 | Heavy Atoms: 17 | QED Weighted: 0.81 | Np Likeness Score: -0.87 |
References
| 1. Zhang H, Daněk O, Makarov D, Rádl S, Kim D, Ledvinka J, Vychodilová K, Hlaváč J, Lefèbre J, Denis M, Rademacher C, Ménová P.. (2022) Drug-like Inhibitors of DC-SIGN Based on a Quinolone Scaffold., 13 (6.0): [PMID:35707152] [10.1021/acsmedchemlett.2c00067] |
Source
Source(1):