| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA244779
Max Phase: Preclinical
Molecular Formula: C15H13N3O
Molecular Weight: 251.29
Molecule Type: Small molecule
Associated Items:
Representations
Canonical SMILES: CC1=NN(c2ccccc2)C(=O)C1c1ccccn1
Standard InChI: InChI=1S/C15H13N3O/c1-11-14(13-9-5-6-10-16-13)15(19)18(17-11)12-7-3-2-4-8-12/h2-10,14H,1H3
Standard InChI Key: NZHHZQIHWDNCQI-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: 251.29 | Molecular Weight (Monoisotopic): 251.1059 | AlogP: 2.59 | #Rotatable Bonds: 2 |
| Polar Surface Area: 45.56 | Molecular Species: NEUTRAL | HBA: 3 | HBD: 0 |
| #RO5 Violations: 0 | HBA (Lipinski): 4 | HBD (Lipinski): 0 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: | CX Basic pKa: 4.06 | CX LogP: 2.37 | CX LogD: 2.37 |
| Aromatic Rings: 2 | Heavy Atoms: 19 | QED Weighted: 0.82 | Np Likeness Score: -1.29 |
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):