| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA5271097
Max Phase: Preclinical
Molecular Formula: C26H26N4O3
Molecular Weight: 442.52
Associated Items:
Representations
Canonical SMILES: Cc1ccccc1-c1cccc(C(=O)N2CCC(O)(Cn3cnn4cccc4c3=O)CC2)c1
Standard InChI: InChI=1S/C26H26N4O3/c1-19-6-2-3-9-22(19)20-7-4-8-21(16-20)24(31)28-14-11-26(33,12-15-28)17-29-18-27-30-13-5-10-23(30)25(29)32/h2-10,13,16,18,33H,11-12,14-15,17H2,1H3
Standard InChI Key: NUKMGSNMXXRHGP-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: 442.52 | Molecular Weight (Monoisotopic): 442.2005 | AlogP: 3.14 | #Rotatable Bonds: 4 |
| Polar Surface Area: 79.84 | Molecular Species: NEUTRAL | HBA: 6 | HBD: 1 |
| #RO5 Violations: 0 | HBA (Lipinski): 7 | HBD (Lipinski): 1 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: | CX Basic pKa: 1.49 | CX LogP: 2.27 | CX LogD: 2.27 |
| Aromatic Rings: 4 | Heavy Atoms: 33 | QED Weighted: 0.53 | Np Likeness Score: -1.12 |
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):