Compound Detail
CHEMBL5891979
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C[C@H]1C[C@@H](N)C2(CCN(c3nc4[nH]nc(-c5ccnc(N)c5Cl)c4c(=O)n3C)CC2)C1
Basic Information
| ChEMBL ID | CHEMBL5891979 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | SEGPQWQFJSIYBY-WCQYABFASA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
443.0
MW (Da)
2.30
ALogP
8
HBA
3
HBD
131.7
PSA (Ų)
0.55
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 7.5
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Tyrosine-protein phosphatase non-receptor type 11 CHEMBL3864 | IC50 | 7.5 | 7.5 | 32.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Tyrosine-protein phosphatase non-receptor type 11 | IC50 | = | 32.0 | nM | 7.5 | Allosteric Inhibition Assay: SHP2 is allosterically activated through binding of... | - |
| Tyrosine-protein phosphatase non-receptor type 11 | IC50 | = | 32.0 | nM | 7.5 | Allosteric Inhibition Assay: SHP2 is allosterically activated through binding of... | - |
Data from ChEMBL 36 via Core Engine