| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA5272524
Max Phase: Preclinical
Molecular Formula: C31H39N5O5
Molecular Weight: 561.68
Associated Items:
Representations
Canonical SMILES: C[C@H](CC(=O)N1CCC(O)(Cn2cnc3cc(NC(=O)CCN4CCOCC4)ccc3c2=O)CC1)c1ccccc1
Standard InChI: InChI=1S/C31H39N5O5/c1-23(24-5-3-2-4-6-24)19-29(38)35-13-10-31(40,11-14-35)21-36-22-32-27-20-25(7-8-26(27)30(36)39)33-28(37)9-12-34-15-17-41-18-16-34/h2-8,20,22-23,40H,9-19,21H2,1H3,(H,33,37)/t23-/m1/s1
Standard InChI Key: MNDGYTYWHAPNNT-HSZRJFAPSA-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: 561.68 | Molecular Weight (Monoisotopic): 561.2951 | AlogP: 2.60 | #Rotatable Bonds: 9 |
| Polar Surface Area: 117.00 | Molecular Species: NEUTRAL | HBA: 8 | HBD: 2 |
| #RO5 Violations: 1 | HBA (Lipinski): 10 | HBD (Lipinski): 2 | #RO5 Violations (Lipinski): 1 |
| CX Acidic pKa: 13.22 | CX Basic pKa: 7.01 | CX LogP: 1.15 | CX LogD: 1.00 |
| Aromatic Rings: 3 | Heavy Atoms: 41 | QED Weighted: 0.41 | Np Likeness Score: -1.35 |
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):