| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA3183480
Max Phase: Preclinical
Molecular Formula: C10H9IN2O
Molecular Weight: 300.10
Molecule Type: Small molecule
Associated Items:
Representations
Canonical SMILES: C[C@H]1COc2c3ccc(I)cc3nn21
Standard InChI: InChI=1S/C10H9IN2O/c1-6-5-14-10-8-3-2-7(11)4-9(8)12-13(6)10/h2-4,6H,5H2,1H3/t6-/m0/s1
Standard InChI Key: WXEAUHXARNLYSO-LURJTMIESA-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: 300.10 | Molecular Weight (Monoisotopic): 299.9760 | AlogP: 2.59 | #Rotatable Bonds: 0 |
| Polar Surface Area: 27.05 | Molecular Species: NEUTRAL | HBA: 3 | HBD: 0 |
| #RO5 Violations: 0 | HBA (Lipinski): 3 | HBD (Lipinski): 0 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: | CX Basic pKa: 1.24 | CX LogP: 2.88 | CX LogD: 2.88 |
| Aromatic Rings: 2 | Heavy Atoms: 14 | QED Weighted: 0.70 | Np Likeness Score: -0.92 |
References
| 1. PubChem BioAssay data set, |
Source
Source(1):