| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA4593813
Max Phase: Preclinical
Molecular Formula: C15H15N5OS
Molecular Weight: 313.39
Molecule Type: Unknown
Associated Items:
Representations
Canonical SMILES: N#CN1CCC(CC(=O)Nc2nnc(-c3ccccc3)s2)C1
Standard InChI: InChI=1S/C15H15N5OS/c16-10-20-7-6-11(9-20)8-13(21)17-15-19-18-14(22-15)12-4-2-1-3-5-12/h1-5,11H,6-9H2,(H,17,19,21)
Standard InChI Key: ZFIXWRFMOBNIJI-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: 313.39 | Molecular Weight (Monoisotopic): 313.0997 | AlogP: 2.34 | #Rotatable Bonds: 4 |
| Polar Surface Area: 81.91 | Molecular Species: NEUTRAL | HBA: 6 | HBD: 1 |
| #RO5 Violations: 0 | HBA (Lipinski): 6 | HBD (Lipinski): 1 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: 6.97 | CX Basic pKa: | CX LogP: 1.98 | CX LogD: 1.47 |
| Aromatic Rings: 2 | Heavy Atoms: 22 | QED Weighted: 0.88 | Np Likeness Score: -1.92 |
References
| 1. (2018) Cyanopyrrolidine derivatives with activity as inhibitors of usp30, |
Source
Source(1):