| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA5270475
Max Phase: Preclinical
Molecular Formula: C26H25N5O4
Molecular Weight: 471.52
Associated Items:
Representations
Canonical SMILES: NC(=O)c1ccc(-c2cccc(C(=O)N3CCC(O)(Cn4cnn5cccc5c4=O)CC3)c2)cc1
Standard InChI: InChI=1S/C26H25N5O4/c27-23(32)19-8-6-18(7-9-19)20-3-1-4-21(15-20)24(33)29-13-10-26(35,11-14-29)16-30-17-28-31-12-2-5-22(31)25(30)34/h1-9,12,15,17,35H,10-11,13-14,16H2,(H2,27,32)
Standard InChI Key: CXXIVOOWKXPHHO-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: 471.52 | Molecular Weight (Monoisotopic): 471.1907 | AlogP: 1.93 | #Rotatable Bonds: 5 |
| Polar Surface Area: 122.93 | Molecular Species: NEUTRAL | HBA: 7 | HBD: 2 |
| #RO5 Violations: 0 | HBA (Lipinski): 9 | HBD (Lipinski): 3 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: | CX Basic pKa: 1.50 | CX LogP: 0.61 | CX LogD: 0.61 |
| Aromatic Rings: 4 | Heavy Atoms: 35 | QED Weighted: 0.46 | Np Likeness Score: -1.14 |
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):