| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA1631207
Max Phase: Preclinical
Molecular Formula: C18H25N3O2
Molecular Weight: 315.42
Molecule Type: Small molecule
Associated Items:
Representations
Canonical SMILES: Cc1cccc(NC(=O)N2CCCC2C(=O)NC2CCCC2)c1
Standard InChI: InChI=1S/C18H25N3O2/c1-13-6-4-9-15(12-13)20-18(23)21-11-5-10-16(21)17(22)19-14-7-2-3-8-14/h4,6,9,12,14,16H,2-3,5,7-8,10-11H2,1H3,(H,19,22)(H,20,23)
Standard InChI Key: BDZDSDRDHZHQGU-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: 315.42 | Molecular Weight (Monoisotopic): 315.1947 | AlogP: 3.05 | #Rotatable Bonds: 3 |
| Polar Surface Area: 61.44 | Molecular Species: NEUTRAL | HBA: 2 | HBD: 2 |
| #RO5 Violations: 0 | HBA (Lipinski): 5 | HBD (Lipinski): 2 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: 13.34 | CX Basic pKa: | CX LogP: 2.71 | CX LogD: 2.71 |
| Aromatic Rings: 1 | Heavy Atoms: 23 | QED Weighted: 0.90 | Np Likeness Score: -1.73 |
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):