| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
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ID: ALA5274053
Max Phase: Preclinical
Molecular Formula: C17H12F2N4O
Molecular Weight: 326.31
Associated Items:
Representations
Canonical SMILES: N#Cc1nc2c(nc1N1CCC(F)(F)CC1)-c1ccccc1C2=O
Standard InChI: InChI=1S/C17H12F2N4O/c18-17(19)5-7-23(8-6-17)16-12(9-20)21-14-13(22-16)10-3-1-2-4-11(10)15(14)24/h1-4H,5-8H2
Standard InChI Key: AECQDHMORDWPQD-UHFFFAOYSA-N
Associated Targets(Human)
USP7 Tchem Ubiquitin carboxyl-terminal hydrolase 7 (837 Activities)
USP47 Tchem Ubiquitin carboxyl-terminal hydrolase 47 (99 Activities)
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USP8 Tchem Ubiquitin carboxyl-terminal hydrolase 8 (245 Activities)
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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 |
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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: 326.31 | Molecular Weight (Monoisotopic): 326.0979 | AlogP: 2.80 | #Rotatable Bonds: 1 |
| Polar Surface Area: 69.88 | Molecular Species: NEUTRAL | HBA: 5 | HBD: 0 |
| #RO5 Violations: 0 | HBA (Lipinski): 5 | HBD (Lipinski): 0 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: | CX Basic pKa: | CX LogP: 3.46 | CX LogD: 3.46 |
| Aromatic Rings: 2 | Heavy Atoms: 24 | QED Weighted: 0.69 | Np Likeness Score: -0.72 |
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):