| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA5282527
Max Phase: Preclinical
Molecular Formula: C24H24N4O3S
Molecular Weight: 448.55
Associated Items:
Representations
Canonical SMILES: O=C(c1ccc(Cc2cccs2)cc1)N1CCC(O)(Cn2cnn3cccc3c2=O)CC1
Standard InChI: InChI=1S/C24H24N4O3S/c29-22(19-7-5-18(6-8-19)15-20-3-2-14-32-20)26-12-9-24(31,10-13-26)16-27-17-25-28-11-1-4-21(28)23(27)30/h1-8,11,14,17,31H,9-10,12-13,15-16H2
Standard InChI Key: KELMTKUUMRTUPV-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: 448.55 | Molecular Weight (Monoisotopic): 448.1569 | AlogP: 2.82 | #Rotatable Bonds: 5 |
| Polar Surface Area: 79.84 | Molecular Species: NEUTRAL | HBA: 7 | HBD: 1 |
| #RO5 Violations: 0 | HBA (Lipinski): 7 | HBD (Lipinski): 1 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: | CX Basic pKa: 1.49 | CX LogP: 2.12 | CX LogD: 2.12 |
| Aromatic Rings: 4 | Heavy Atoms: 32 | QED Weighted: 0.51 | Np Likeness Score: -1.52 |
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):