| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA4593035
Max Phase: Preclinical
Molecular Formula: C16H16N4OS
Molecular Weight: 312.40
Molecule Type: Unknown
Associated Items:
Representations
Canonical SMILES: N#CN1C[C@@H]2OCCN(c3ncc(-c4ccccc4)s3)[C@H]2C1
Standard InChI: InChI=1S/C16H16N4OS/c17-11-19-9-13-14(10-19)21-7-6-20(13)16-18-8-15(22-16)12-4-2-1-3-5-12/h1-5,8,13-14H,6-7,9-10H2/t13-,14-/m0/s1
Standard InChI Key: BXVKKUUGHSZIEN-KBPBESRZSA-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: 312.40 | Molecular Weight (Monoisotopic): 312.1045 | AlogP: 2.18 | #Rotatable Bonds: 2 |
| Polar Surface Area: 52.39 | Molecular Species: NEUTRAL | HBA: 6 | HBD: 0 |
| #RO5 Violations: 0 | HBA (Lipinski): 5 | HBD (Lipinski): 0 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: | CX Basic pKa: 2.91 | CX LogP: 2.80 | CX LogD: 2.80 |
| Aromatic Rings: 2 | Heavy Atoms: 22 | QED Weighted: 0.80 | Np Likeness Score: -0.82 |
References
| 1. (2018) Cyanopyrrolidine derivatives with activity as inhibitors of usp30, |
Source
Source(1):