| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA4593287
Max Phase: Preclinical
Molecular Formula: C16H15FN4OS
Molecular Weight: 330.39
Molecule Type: Unknown
Associated Items:
Representations
Canonical SMILES: N#CN1CCCC(F)(C(=O)Nc2ncc(-c3ccccc3)s2)C1
Standard InChI: InChI=1S/C16H15FN4OS/c17-16(7-4-8-21(10-16)11-18)14(22)20-15-19-9-13(23-15)12-5-2-1-3-6-12/h1-3,5-6,9H,4,7-8,10H2,(H,19,20,22)
Standard InChI Key: RQCBYXQUWLBCCK-UHFFFAOYSA-N
Associated Targets(Human)
Ubiquitin carboxyl-terminal hydrolase 30 944 Activities
Molecule Features
| Natural Product: No | Oral: No | Chemical Probe: No | Parenteral: No |
| Molecule Type: Unknown | 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: 330.39 | Molecular Weight (Monoisotopic): 330.0951 | AlogP: 3.03 | #Rotatable Bonds: 3 |
| Polar Surface Area: 69.02 | Molecular Species: NEUTRAL | HBA: 5 | HBD: 1 |
| #RO5 Violations: 0 | HBA (Lipinski): 5 | HBD (Lipinski): 1 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: 7.58 | CX Basic pKa: | CX LogP: 2.96 | CX LogD: 2.76 |
| Aromatic Rings: 2 | Heavy Atoms: 23 | QED Weighted: 0.88 | Np Likeness Score: -1.07 |
References
| 1. (2018) Cyano-substituted heterocycles with activity as inhibitors of usp30, |
Source
Source(1):