| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA1631215
Max Phase: Preclinical
Molecular Formula: C20H19N5O
Molecular Weight: 345.41
Molecule Type: Small molecule
Associated Items:
Representations
Canonical SMILES: CC(=O)N(Cc1ccccc1)Cc1cc2cccc(C)c2n2nnnc12
Standard InChI: InChI=1S/C20H19N5O/c1-14-7-6-10-17-11-18(20-21-22-23-25(20)19(14)17)13-24(15(2)26)12-16-8-4-3-5-9-16/h3-11H,12-13H2,1-2H3
Standard InChI Key: HTUJGGXFLZLUSE-UHFFFAOYSA-N
Associated Targets(non-human)
Prion protein 315 Activities
Molecule Features
| Natural Product: No | Oral: No | Chemical Probe: No | Parenteral: No |
| Molecule Type: Small molecule | 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: 345.41 | Molecular Weight (Monoisotopic): 345.1590 | AlogP: 3.13 | #Rotatable Bonds: 4 |
| Polar Surface Area: 63.39 | Molecular Species: NEUTRAL | HBA: 5 | HBD: 0 |
| #RO5 Violations: 0 | HBA (Lipinski): 6 | HBD (Lipinski): 0 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: | CX Basic pKa: | CX LogP: 3.23 | CX LogD: 3.23 |
| Aromatic Rings: 4 | Heavy Atoms: 26 | QED Weighted: 0.57 | Np Likeness Score: -1.76 |
References
| 1. Hosokawa-Muto J, Kamatari YO, Nakamura HK, Kuwata K.. (2009) Variety of antiprion compounds discovered through an in silico screen based on cellular-form prion protein structure: Correlation between antiprion activity and binding affinity., 53 (2): [PMID:19015328] [10.1128/aac.01112-08] |
Source
Source(1):