| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA5202512
Max Phase: Preclinical
Molecular Formula: C24H20N2O2
Molecular Weight: 368.44
Associated Items:
Representations
Canonical SMILES: COc1cc(OC)cc(-c2nc3ccccc3c3cc4c(C)cccn4c23)c1
Standard InChI: InChI=1S/C24H20N2O2/c1-15-7-6-10-26-22(15)14-20-19-8-4-5-9-21(19)25-23(24(20)26)16-11-17(27-2)13-18(12-16)28-3/h4-14H,1-3H3
Standard InChI Key: KWQIVVAJWROIAG-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: 368.44 | Molecular Weight (Monoisotopic): 368.1525 | AlogP: 5.63 | #Rotatable Bonds: 3 |
| Polar Surface Area: 35.76 | Molecular Species: NEUTRAL | HBA: 4 | HBD: 0 |
| #RO5 Violations: 1 | HBA (Lipinski): 4 | HBD (Lipinski): 0 | #RO5 Violations (Lipinski): 1 |
| CX Acidic pKa: | CX Basic pKa: 1.98 | CX LogP: 5.02 | CX LogD: 5.02 |
| Aromatic Rings: 5 | Heavy Atoms: 28 | QED Weighted: 0.41 | Np Likeness Score: -0.60 |
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):