| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA220663
Max Phase: Preclinical
Molecular Formula: C10H16N2O
Molecular Weight: 180.25
Molecule Type: Small molecule
Associated Items:
Representations
Canonical SMILES: CC1=NN(C2CCCCC2)C(=O)C1
Standard InChI: InChI=1S/C10H16N2O/c1-8-7-10(13)12(11-8)9-5-3-2-4-6-9/h9H,2-7H2,1H3
Standard InChI Key: CLCIJTSYLYHCAX-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: 180.25 | Molecular Weight (Monoisotopic): 180.1263 | AlogP: 1.93 | #Rotatable Bonds: 1 |
| 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: 13.47 | CX Basic pKa: 1.67 | CX LogP: 1.67 | CX LogD: 1.67 |
| Aromatic Rings: 0 | Heavy Atoms: 13 | QED Weighted: 0.61 | Np Likeness Score: -0.55 |
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):