| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA3186935
Max Phase: Preclinical
Molecular Formula: C17H13BrClN3O
Molecular Weight: 390.67
Molecule Type: Small molecule
Associated Items:
Representations
Canonical SMILES: Nc1nc2ccc(Cl)cc2cc1C(=O)NCc1ccccc1Br
Standard InChI: InChI=1S/C17H13BrClN3O/c18-14-4-2-1-3-10(14)9-21-17(23)13-8-11-7-12(19)5-6-15(11)22-16(13)20/h1-8H,9H2,(H2,20,22)(H,21,23)
Standard InChI Key: OLGKZNGMUYFEID-UHFFFAOYSA-N
Associated Targets(Human)
Prion protein 409 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: 390.67 | Molecular Weight (Monoisotopic): 388.9931 | AlogP: 4.16 | #Rotatable Bonds: 3 |
| Polar Surface Area: 68.01 | Molecular Species: NEUTRAL | HBA: 3 | HBD: 2 |
| #RO5 Violations: 0 | HBA (Lipinski): 4 | HBD (Lipinski): 3 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: | CX Basic pKa: 3.95 | CX LogP: 4.72 | CX LogD: 4.72 |
| Aromatic Rings: 3 | Heavy Atoms: 23 | QED Weighted: 0.71 | Np Likeness Score: -1.63 |
References
| 1. PubChem BioAssay data set, |
Source
Source(1):