| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA5266697
Max Phase: Preclinical
Molecular Formula: C25H28N6O3
Molecular Weight: 460.54
Associated Items:
Representations
Canonical SMILES: Cc1cc(C)n(Cc2ccc(C(=O)N3CCC(O)(Cn4cnn5cccc5c4=O)CC3)cc2)n1
Standard InChI: InChI=1S/C25H28N6O3/c1-18-14-19(2)31(27-18)15-20-5-7-21(8-6-20)23(32)28-12-9-25(34,10-13-28)16-29-17-26-30-11-3-4-22(30)24(29)33/h3-8,11,14,17,34H,9-10,12-13,15-16H2,1-2H3
Standard InChI Key: CNJBMGKKOOFWAC-UHFFFAOYSA-N
Associated Targets(Human)
Ubiquitin carboxyl-terminal hydrolase 7 837 Activities
Molecule Features
| Natural Product: No | Oral: No | Chemical Probe: No | Parenteral: No |
| Molecule Type: | 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: 460.54 | Molecular Weight (Monoisotopic): 460.2223 | AlogP: 2.02 | #Rotatable Bonds: 5 |
| Polar Surface Area: 97.66 | Molecular Species: NEUTRAL | HBA: 8 | HBD: 1 |
| #RO5 Violations: 0 | HBA (Lipinski): 9 | HBD (Lipinski): 1 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: | CX Basic pKa: 3.41 | CX LogP: 0.60 | CX LogD: 0.60 |
| Aromatic Rings: 4 | Heavy Atoms: 34 | QED Weighted: 0.49 | Np Likeness Score: -1.76 |
References
| 1. Li P, Liu HM.. (2020) Recent advances in the development of ubiquitin-specific-processing protease 7 (USP7) inhibitors., 191 [PMID:32092586] [10.1016/j.ejmech.2020.112107] |
Source
Source(1):