| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA5198813
Max Phase: Preclinical
Molecular Formula: C14H17N3O2
Molecular Weight: 259.31
Associated Items:
Representations
Canonical SMILES: CN(C)C(=O)c1c[nH]c2cc(N(C)C)ccc2c1=O
Standard InChI: InChI=1S/C14H17N3O2/c1-16(2)9-5-6-10-12(7-9)15-8-11(13(10)18)14(19)17(3)4/h5-8H,1-4H3,(H,15,18)
Standard InChI Key: JCXQWOPXWYYXSO-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: 259.31 | Molecular Weight (Monoisotopic): 259.1321 | AlogP: 1.30 | #Rotatable Bonds: 2 |
| Polar Surface Area: 56.41 | Molecular Species: NEUTRAL | HBA: 3 | HBD: 1 |
| #RO5 Violations: 0 | HBA (Lipinski): 5 | HBD (Lipinski): 1 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: 12.60 | CX Basic pKa: 3.29 | CX LogP: 1.29 | CX LogD: 1.29 |
| Aromatic Rings: 2 | Heavy Atoms: 19 | QED Weighted: 0.88 | Np Likeness Score: -0.94 |
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):