| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA1981479
Max Phase: Preclinical
Molecular Formula: C10H11ClN4O2
Molecular Weight: 254.68
Molecule Type: Small molecule
Associated Items:
Representations
Canonical SMILES: O=[N+]([O-])/N=C1\NCCN1Cc1ccc(Cl)cc1
Standard InChI: InChI=1S/C10H11ClN4O2/c11-9-3-1-8(2-4-9)7-14-6-5-12-10(14)13-15(16)17/h1-4H,5-7H2,(H,12,13)
Standard InChI Key: QJVYBEVOEQSMCF-UHFFFAOYSA-N
Associated Targets(non-human)
Peripheral myelin protein 22 1279 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: 254.68 | Molecular Weight (Monoisotopic): 254.0571 | AlogP: 1.29 | #Rotatable Bonds: 3 |
| Polar Surface Area: 70.77 | Molecular Species: NEUTRAL | HBA: 2 | HBD: 1 |
| #RO5 Violations: 0 | HBA (Lipinski): 6 | HBD (Lipinski): 1 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: | CX Basic pKa: | CX LogP: 1.53 | CX LogD: 1.53 |
| Aromatic Rings: 1 | Heavy Atoms: 17 | QED Weighted: 0.65 | Np Likeness Score: -1.12 |
References
| 1. PubChem BioAssay data set, |
Source
Source(1):