Compound Detail
CHEMBL5967312
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C[C@@H]1OCC2(CCN(c3cnc(Sc4cc(N)nc(Cl)c4Cl)c(N)n3)CC2)[C@@H]1N
Basic Information
| ChEMBL ID | CHEMBL5967312 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | NJJRZZZXIWBVDL-LKFCYVNXSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
456.4
MW (Da)
2.83
ALogP
9
HBA
3
HBD
129.2
PSA (Ų)
0.60
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 8.4
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Tyrosine-protein phosphatase non-receptor type 11 CHEMBL3864 | IC50 | 8.4 | 8.4 | 4.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Tyrosine-protein phosphatase non-receptor type 11 | IC50 | = | 4.0 | nM | 8.4 | SHP2 Allosteric Inhibition Assay: SHP2 is allosterically activated through bindi... | - |
Data from ChEMBL 36 via Core Engine