ID: ALA5276519
Chembl Id: CHEMBL5276519
Max Phase: Preclinical
Molecular Formula: C15H8N4O2
Molecular Weight: 276.25
Associated Items:
Canonical SMILES: N#Cc1nc2c(nc1C#N)C1(OCCO1)c1ccccc1-2
Standard InChI: InChI=1S/C15H8N4O2/c16-7-11-12(8-17)19-14-13(18-11)9-3-1-2-4-10(9)15(14)20-5-6-21-15/h1-4H,5-6H2
Standard InChI Key: SRDZVQATVIGJSQ-UHFFFAOYSA-N
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
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| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
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| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
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| 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 |
| MESH ID | MESH Heading | EFO IDs | EFO Terms | Max Phase for Indication | References |
|---|
| Mechanism of Action | Action Type | target ID | Target Name | Target Type | Target Organism | Binding Site Name | References |
|---|
| Molecular Weight: 276.25 | Molecular Weight (Monoisotopic): 276.0647 | AlogP: 1.45 | #Rotatable Bonds: ┄ |
| Polar Surface Area: 91.82 | Molecular Species: NEUTRAL | HBA: 6 | HBD: ┄ |
| #RO5 Violations: ┄ | HBA (Lipinski): 6 | HBD (Lipinski): ┄ | #RO5 Violations (Lipinski): ┄ |
| CX Acidic pKa: ┄ | CX Basic pKa: ┄ | CX LogP: 2.41 | CX LogD: 2.41 |
| Aromatic Rings: 2 | Heavy Atoms: 21 | QED Weighted: 0.72 | Np Likeness Score: -0.38 |
| 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(1):
