| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA223594
Max Phase: Preclinical
Molecular Formula: C11H11N3O3
Molecular Weight: 233.23
Molecule Type: Small molecule
Associated Items:
Representations
Canonical SMILES: COC(=O)NC1=NN(c2ccccc2)C(=O)C1
Standard InChI: InChI=1S/C11H11N3O3/c1-17-11(16)12-9-7-10(15)14(13-9)8-5-3-2-4-6-8/h2-6H,7H2,1H3,(H,12,13,16)
Standard InChI Key: KYKGVIQGQUNPEW-UHFFFAOYSA-N
Associated Targets(Human)
NB69 175 Activities
Associated Targets(non-human)
ScN2a 522 Activities
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
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: 233.23 | Molecular Weight (Monoisotopic): 233.0800 | AlogP: 1.09 | #Rotatable Bonds: 1 |
| Polar Surface Area: 71.00 | Molecular Species: NEUTRAL | HBA: 4 | HBD: 1 |
| #RO5 Violations: 0 | HBA (Lipinski): 6 | HBD (Lipinski): 1 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: 9.85 | CX Basic pKa: | CX LogP: 1.00 | CX LogD: 1.00 |
| Aromatic Rings: 1 | Heavy Atoms: 17 | QED Weighted: 0.79 | Np Likeness Score: -1.24 |
References
| 1. Kimata A, Nakagawa H, Ohyama R, Fukuuchi T, Ohta S, Doh-ura K, Suzuki T, Miyata N.. (2007) New series of antiprion compounds: pyrazolone derivatives have the potent activity of inhibiting protease-resistant prion protein accumulation., 50 (21): [PMID:17850126] [10.1021/jm070688r] |
Source
Source(1):