| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA5202656
Max Phase: Preclinical
Molecular Formula: C14H16N2O3
Molecular Weight: 260.29
Associated Items:
Representations
Canonical SMILES: CCOC(=O)c1c[nH]c2ccc(N(C)C)cc2c1=O
Standard InChI: InChI=1S/C14H16N2O3/c1-4-19-14(18)11-8-15-12-6-5-9(16(2)3)7-10(12)13(11)17/h5-8H,4H2,1-3H3,(H,15,17)
Standard InChI Key: WECKJRUALBXWFS-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: 260.29 | Molecular Weight (Monoisotopic): 260.1161 | AlogP: 1.77 | #Rotatable Bonds: 3 |
| Polar Surface Area: 62.40 | Molecular Species: NEUTRAL | HBA: 4 | HBD: 1 |
| #RO5 Violations: 0 | HBA (Lipinski): 5 | HBD (Lipinski): 1 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: 10.24 | CX Basic pKa: 4.21 | CX LogP: 2.38 | CX LogD: 2.38 |
| Aromatic Rings: 2 | Heavy Atoms: 19 | QED Weighted: 0.85 | Np Likeness Score: -0.86 |
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):