| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA4277327
Max Phase: Preclinical
Molecular Formula: C23H21N3O2
Molecular Weight: 371.44
Molecule Type: Small molecule
Associated Items:
Representations
Canonical SMILES: CCC[C@H](NC(=O)/C(C#N)=C/c1ccc2cccc(O)c2n1)c1ccccc1
Standard InChI: InChI=1S/C23H21N3O2/c1-2-7-20(16-8-4-3-5-9-16)26-23(28)18(15-24)14-19-13-12-17-10-6-11-21(27)22(17)25-19/h3-6,8-14,20,27H,2,7H2,1H3,(H,26,28)/b18-14+/t20-/m0/s1
Standard InChI Key: KZBNKEWYSUNYSG-GJPUVDBCSA-N
Associated Targets(Human)
Probable ubiquitin carboxyl-terminal hydrolase FAF-X 500 Activities
Molecule Features
| Natural Product: No | Oral: No | Chemical Probe: No | Parenteral: No |
| Molecule Type: Small molecule | 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: 371.44 | Molecular Weight (Monoisotopic): 371.1634 | AlogP: 4.50 | #Rotatable Bonds: 6 |
| Polar Surface Area: 86.01 | Molecular Species: NEUTRAL | HBA: 4 | HBD: 2 |
| #RO5 Violations: 0 | HBA (Lipinski): 5 | HBD (Lipinski): 2 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: 8.46 | CX Basic pKa: 3.67 | CX LogP: 4.56 | CX LogD: 4.52 |
| Aromatic Rings: 3 | Heavy Atoms: 28 | QED Weighted: 0.49 | Np Likeness Score: -0.74 |
References
| 1. (2016) Deubiquitinase inhibitors and methods for use of the same, |
| 2. (2016) Deubiquitinase inhibitors and methods for use of the same, |
Source
Source(1):