| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA5272505
Max Phase: Preclinical
Molecular Formula: C30H31N5O4
Molecular Weight: 525.61
Associated Items:
Representations
Canonical SMILES: O=C(c1ccc(-c2cccc(C(=O)N3CCC(O)(Cn4cnn5cccc5c4=O)CC3)c2)cc1)N1CCCC1
Standard InChI: InChI=1S/C30H31N5O4/c36-27(32-14-1-2-15-32)23-10-8-22(9-11-23)24-5-3-6-25(19-24)28(37)33-17-12-30(39,13-18-33)20-34-21-31-35-16-4-7-26(35)29(34)38/h3-11,16,19,21,39H,1-2,12-15,17-18,20H2
Standard InChI Key: GJHVGQDYWRKWEL-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: 525.61 | Molecular Weight (Monoisotopic): 525.2376 | AlogP: 3.07 | #Rotatable Bonds: 5 |
| Polar Surface Area: 100.15 | Molecular Species: NEUTRAL | HBA: 7 | HBD: 1 |
| #RO5 Violations: 1 | HBA (Lipinski): 9 | HBD (Lipinski): 1 | #RO5 Violations (Lipinski): 1 |
| CX Acidic pKa: | CX Basic pKa: 1.49 | CX LogP: 1.46 | CX LogD: 1.46 |
| Aromatic Rings: 4 | Heavy Atoms: 39 | QED Weighted: 0.43 | Np Likeness Score: -1.01 |
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):