| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA5271202
Max Phase: Preclinical
Molecular Formula: C23H24ClN3O2
Molecular Weight: 409.92
Associated Items:
Representations
Canonical SMILES: O=C(CCc1ccccc1)N1CCC(Cn2cnc3cc(Cl)ccc3c2=O)CC1
Standard InChI: InChI=1S/C23H24ClN3O2/c24-19-7-8-20-21(14-19)25-16-27(23(20)29)15-18-10-12-26(13-11-18)22(28)9-6-17-4-2-1-3-5-17/h1-5,7-8,14,16,18H,6,9-13,15H2
Standard InChI Key: RMYINDHVGQFJRO-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: 409.92 | Molecular Weight (Monoisotopic): 409.1557 | AlogP: 3.92 | #Rotatable Bonds: 5 |
| Polar Surface Area: 55.20 | Molecular Species: NEUTRAL | HBA: 4 | HBD: 0 |
| #RO5 Violations: 0 | HBA (Lipinski): 5 | HBD (Lipinski): 0 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: | CX Basic pKa: 3.81 | CX LogP: 3.55 | CX LogD: 3.55 |
| Aromatic Rings: 3 | Heavy Atoms: 29 | QED Weighted: 0.64 | Np Likeness Score: -1.28 |
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):