| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA5202490
Max Phase: Preclinical
Molecular Formula: C21H13ClN2
Molecular Weight: 328.80
Associated Items:
Representations
Canonical SMILES: Clc1ccc(-c2nc3ccccc3c3cc4ccccn4c23)cc1
Standard InChI: InChI=1S/C21H13ClN2/c22-15-10-8-14(9-11-15)20-21-18(13-16-5-3-4-12-24(16)21)17-6-1-2-7-19(17)23-20/h1-13H
Standard InChI Key: CGCWVTXMFNQBHK-UHFFFAOYSA-N
Associated Targets(non-human)
HT-22 3261 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: 328.80 | Molecular Weight (Monoisotopic): 328.0767 | AlogP: 5.96 | #Rotatable Bonds: 1 |
| Polar Surface Area: 17.30 | Molecular Species: NEUTRAL | HBA: 2 | HBD: 0 |
| #RO5 Violations: 1 | HBA (Lipinski): 2 | HBD (Lipinski): 0 | #RO5 Violations (Lipinski): 1 |
| CX Acidic pKa: | CX Basic pKa: 2.17 | CX LogP: 5.42 | CX LogD: 5.42 |
| Aromatic Rings: 5 | Heavy Atoms: 24 | QED Weighted: 0.37 | Np Likeness Score: -1.02 |
References
| 1. Kim K, Lee JH, Kim S, Lee S, Lee D, Kim HY, Kim I, Kim Y.. (2021) Anti-amyloidogenic indolizino[3,2-c]quinolines as imaging probes differentiating dense-core, diffuse, and coronal plaques of amyloid-β., 12 (11.0): [PMID:34825188] [10.1039/D1MD00030F] |
Source
Source(1):