| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA4593525
Max Phase: Preclinical
Molecular Formula: C17H18N4O
Molecular Weight: 294.36
Molecule Type: Unknown
Associated Items:
Representations
Canonical SMILES: N#Cc1cccc(C2CN(C(=O)C[C@@H]3CCN(C#N)C3)C2)c1
Standard InChI: InChI=1S/C17H18N4O/c18-8-13-2-1-3-15(6-13)16-10-21(11-16)17(22)7-14-4-5-20(9-14)12-19/h1-3,6,14,16H,4-5,7,9-11H2/t14-/m0/s1
Standard InChI Key: IVOTXJWFZYQFCO-AWEZNQCLSA-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: 294.36 | Molecular Weight (Monoisotopic): 294.1481 | AlogP: 1.68 | #Rotatable Bonds: 3 |
| Polar Surface Area: 71.13 | Molecular Species: NEUTRAL | HBA: 4 | HBD: 0 |
| #RO5 Violations: 0 | HBA (Lipinski): 5 | HBD (Lipinski): 0 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: | CX Basic pKa: | CX LogP: 1.06 | CX LogD: 1.06 |
| Aromatic Rings: 1 | Heavy Atoms: 22 | QED Weighted: 0.80 | Np Likeness Score: -0.97 |
References
| 1. (2018) Cyanopyrrolidine derivatives with activity as inhibitors of usp30, |
Source
Source(1):