| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA3189009
Max Phase: Preclinical
Molecular Formula: C26H25FN4
Molecular Weight: 412.51
Molecule Type: Small molecule
Associated Items:
Representations
Canonical SMILES: Cc1ccc(-c2ccc(CNc3nc(-c4ccccc4C(C)C)ncc3F)cc2)cn1
Standard InChI: InChI=1S/C26H25FN4/c1-17(2)22-6-4-5-7-23(22)25-30-16-24(27)26(31-25)29-14-19-9-12-20(13-10-19)21-11-8-18(3)28-15-21/h4-13,15-17H,14H2,1-3H3,(H,29,30,31)
Standard InChI Key: WMSIQHHETNMZCZ-UHFFFAOYSA-N
Associated Targets(Human)
Ubiquitin carboxyl-terminal hydrolase 1 22556 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: 412.51 | Molecular Weight (Monoisotopic): 412.2063 | AlogP: 6.39 | #Rotatable Bonds: 6 |
| Polar Surface Area: 50.70 | Molecular Species: NEUTRAL | HBA: 4 | HBD: 1 |
| #RO5 Violations: 1 | HBA (Lipinski): 4 | HBD (Lipinski): 1 | #RO5 Violations (Lipinski): 1 |
| CX Acidic pKa: | CX Basic pKa: 5.38 | CX LogP: 6.31 | CX LogD: 6.30 |
| Aromatic Rings: 4 | Heavy Atoms: 31 | QED Weighted: 0.40 | Np Likeness Score: -1.03 |
References
| 1. PubChem BioAssay data set, |
Source
Source(1):