| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA2134619
Max Phase: Preclinical
Molecular Formula: C14H11N5O2
Molecular Weight: 281.28
Molecule Type: Small molecule
Associated Items:
Representations
Canonical SMILES: O=C(Nc1c(O)n[nH]c1-c1ccccc1)c1cnccn1
Standard InChI: InChI=1S/C14H11N5O2/c20-13(10-8-15-6-7-16-10)17-12-11(18-19-14(12)21)9-4-2-1-3-5-9/h1-8H,(H,17,20)(H2,18,19,21)
Standard InChI Key: JMUIULVLFACWRF-UHFFFAOYSA-N
Associated Targets(Human)
Sentrin-specific protease 8 1687 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: 281.28 | Molecular Weight (Monoisotopic): 281.0913 | AlogP: 1.82 | #Rotatable Bonds: 3 |
| Polar Surface Area: 103.79 | Molecular Species: ACID | HBA: 5 | HBD: 3 |
| #RO5 Violations: 0 | HBA (Lipinski): 7 | HBD (Lipinski): 3 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: 5.23 | CX Basic pKa: 1.03 | CX LogP: 1.18 | CX LogD: -0.40 |
| Aromatic Rings: 3 | Heavy Atoms: 21 | QED Weighted: 0.68 | Np Likeness Score: -1.48 |
References
| 1. PubChem BioAssay data set, |
Source
Source(1):