| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA223190
Max Phase: Preclinical
Molecular Formula: C14H18N2O
Molecular Weight: 230.31
Molecule Type: Small molecule
Associated Items:
Representations
Canonical SMILES: CC1=NN(c2ccccc2)C(=O)C1CC(C)C
Standard InChI: InChI=1S/C14H18N2O/c1-10(2)9-13-11(3)15-16(14(13)17)12-7-5-4-6-8-12/h4-8,10,13H,9H2,1-3H3
Standard InChI Key: YOQLDYYUCQUBHZ-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 |
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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: 230.31 | Molecular Weight (Monoisotopic): 230.1419 | AlogP: 3.07 | #Rotatable Bonds: 3 |
| Polar Surface Area: 32.67 | Molecular Species: NEUTRAL | HBA: 2 | HBD: 0 |
| #RO5 Violations: 0 | HBA (Lipinski): 3 | HBD (Lipinski): 0 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: | CX Basic pKa: | CX LogP: 3.25 | CX LogD: 3.25 |
| Aromatic Rings: 1 | Heavy Atoms: 17 | QED Weighted: 0.79 | Np Likeness Score: -0.76 |
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):