| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA5267445
Max Phase: Preclinical
Molecular Formula: C19H19N3O
Molecular Weight: 305.38
Associated Items:
Representations
Canonical SMILES: CCc1c(-c2cccc(N)c2)cnc(N)c1-c1ccc(O)cc1
Standard InChI: InChI=1S/C19H19N3O/c1-2-16-17(13-4-3-5-14(20)10-13)11-22-19(21)18(16)12-6-8-15(23)9-7-12/h3-11,23H,2,20H2,1H3,(H2,21,22)
Standard InChI Key: ADPOBAMFHZFYGM-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: 305.38 | Molecular Weight (Monoisotopic): 305.1528 | AlogP: 3.85 | #Rotatable Bonds: 3 |
| Polar Surface Area: 85.16 | Molecular Species: NEUTRAL | HBA: 4 | HBD: 3 |
| #RO5 Violations: 0 | HBA (Lipinski): 4 | HBD (Lipinski): 5 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: 9.76 | CX Basic pKa: 6.85 | CX LogP: 3.64 | CX LogD: 3.54 |
| Aromatic Rings: 3 | Heavy Atoms: 23 | QED Weighted: 0.64 | Np Likeness Score: 0.06 |
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):