| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA5272332
Max Phase: Preclinical
Molecular Formula: C29H29N5O4
Molecular Weight: 511.58
Associated Items:
Representations
Canonical SMILES: C=C(C)C(=O)Nc1ccccc1-c1ccc(C(=O)N2CCC(O)(Cn3cnn4cccc4c3=O)CC2)cc1
Standard InChI: InChI=1S/C29H29N5O4/c1-20(2)26(35)31-24-7-4-3-6-23(24)21-9-11-22(12-10-21)27(36)32-16-13-29(38,14-17-32)18-33-19-30-34-15-5-8-25(34)28(33)37/h3-12,15,19,38H,1,13-14,16-18H2,2H3,(H,31,35)
Standard InChI Key: YOVMZXFBXWIFTF-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: 511.58 | Molecular Weight (Monoisotopic): 511.2220 | AlogP: 3.34 | #Rotatable Bonds: 6 |
| Polar Surface Area: 108.94 | Molecular Species: NEUTRAL | HBA: 7 | HBD: 2 |
| #RO5 Violations: 1 | HBA (Lipinski): 9 | HBD (Lipinski): 2 | #RO5 Violations (Lipinski): 1 |
| CX Acidic pKa: 13.61 | CX Basic pKa: 1.48 | CX LogP: 2.15 | CX LogD: 2.15 |
| Aromatic Rings: 4 | Heavy Atoms: 38 | QED Weighted: 0.39 | Np Likeness Score: -1.06 |
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):