| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA4594138
Max Phase: Preclinical
Molecular Formula: C16H21N5O3S
Molecular Weight: 363.44
Molecule Type: Unknown
Associated Items:
Representations
Canonical SMILES: N#CN1CC[C@@H](N2Cc3cccc(N4CCOCC4)c3NS2(=O)=O)C1
Standard InChI: InChI=1S/C16H21N5O3S/c17-12-19-5-4-14(11-19)21-10-13-2-1-3-15(16(13)18-25(21,22)23)20-6-8-24-9-7-20/h1-3,14,18H,4-11H2/t14-/m1/s1
Standard InChI Key: DJMZCXINMVMFOD-CQSZACIVSA-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: 363.44 | Molecular Weight (Monoisotopic): 363.1365 | AlogP: 0.55 | #Rotatable Bonds: 2 |
| Polar Surface Area: 88.91 | Molecular Species: NEUTRAL | HBA: 6 | HBD: 1 |
| #RO5 Violations: 0 | HBA (Lipinski): 8 | HBD (Lipinski): 1 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: 10.81 | CX Basic pKa: | CX LogP: -0.07 | CX LogD: -0.07 |
| Aromatic Rings: 1 | Heavy Atoms: 25 | QED Weighted: 0.77 | Np Likeness Score: -0.94 |
References
| 1. (2017) 1-cyano-pyrrolidine derivatives as inhibitors of usp30, |
Source
Source(1):