| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
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ID: ALA1625370
Max Phase: Preclinical
Molecular Formula: C16H18BrNO2
Molecular Weight: 336.23
Molecule Type: Small molecule
Associated Items:
Representations
Canonical SMILES: OCCNCc1cc(Br)ccc1OCc1ccccc1
Standard InChI: InChI=1S/C16H18BrNO2/c17-15-6-7-16(14(10-15)11-18-8-9-19)20-12-13-4-2-1-3-5-13/h1-7,10,18-19H,8-9,11-12H2
Standard InChI Key: ZPZPYTMGKBNQPF-UHFFFAOYSA-N
Associated Targets(Human)
USP28 Tchem Ubiquitin carboxyl-terminal hydrolase 28 (268 Activities)
USP25 Tchem Ubiquitin carboxyl-terminal hydrolase 25 (268 Activities)
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Molecule Features
| Natural Product: No | Oral: No | Chemical Probe: No | Parenteral: No |
| Molecule Type: Small molecule | 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 |
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Mechanisms of Action
| Mechanism of Action | Action Type | target ID | Target Name | Target Type | Target Organism | Binding Site Name | References |
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Properties
| Molecular Weight: 336.23 | Molecular Weight (Monoisotopic): 335.0521 | AlogP: 3.11 | #Rotatable Bonds: 7 |
| Polar Surface Area: 41.49 | Molecular Species: NEUTRAL | HBA: 3 | HBD: 2 |
| #RO5 Violations: 0 | HBA (Lipinski): 3 | HBD (Lipinski): 2 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: | CX Basic pKa: 8.15 | CX LogP: 3.18 | CX LogD: 2.36 |
| Aromatic Rings: 2 | Heavy Atoms: 20 | QED Weighted: 0.76 | Np Likeness Score: -0.69 |
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):