| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA3392896
Max Phase: Preclinical
Molecular Formula: C27H28N4O2S
Molecular Weight: 472.61
Molecule Type: Small molecule
Associated Items:
Representations
Canonical SMILES: Cc1cnc(-c2ccccc2C(C)C)nc1NCc1ccc(-c2cccc(S(N)(=O)=O)c2)cc1
Standard InChI: InChI=1S/C27H28N4O2S/c1-18(2)24-9-4-5-10-25(24)27-29-16-19(3)26(31-27)30-17-20-11-13-21(14-12-20)22-7-6-8-23(15-22)34(28,32)33/h4-16,18H,17H2,1-3H3,(H2,28,32,33)(H,29,30,31)
Standard InChI Key: MAKKPTPJULBXSN-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: 472.61 | Molecular Weight (Monoisotopic): 472.1933 | AlogP: 5.50 | #Rotatable Bonds: 7 |
| Polar Surface Area: 97.97 | Molecular Species: NEUTRAL | HBA: 5 | HBD: 2 |
| #RO5 Violations: 1 | HBA (Lipinski): 6 | HBD (Lipinski): 3 | #RO5 Violations (Lipinski): 1 |
| CX Acidic pKa: 10.15 | CX Basic pKa: 5.07 | CX LogP: 6.36 | CX LogD: 6.36 |
| Aromatic Rings: 4 | Heavy Atoms: 34 | QED Weighted: 0.37 | Np Likeness Score: -1.10 |
References
| 1. PubChem BioAssay data set, |
Source
Source(1):