Compound Detail
CHEMBL5784512
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Cc1c(N2CCC3(CC2)Oc2ccccc2[C@@H]3N)nc(C)n(-c2cccc(Cl)c2Cl)c1=O
Basic Information
| ChEMBL ID | CHEMBL5784512 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | STUGKYOHXIBHOS-NRFANRHFSA-N |
1
Targets
5
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
471.4
MW (Da)
4.59
ALogP
6
HBA
1
HBD
73.4
PSA (Ų)
0.59
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 5 meas. best 9.52
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Tyrosine-protein phosphatase non-receptor type 11 CHEMBL3864 | IC50 | 9.52 | 8.592 | 0.3 | 5 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Tyrosine-protein phosphatase non-receptor type 11 | IC50 | = | 0.3 | nM | 9.52 | SHP2 Biochemical Assay (with IRSI_2pY): The inhibition of SHP2 by compounds of t... | - |
| Tyrosine-protein phosphatase non-receptor type 11 | IC50 | = | 0.5 | nM | 9.3 | SHP2 Biochemical Assay: The inhibition of SHP2 by compounds of the invention was... | - |
| Tyrosine-protein phosphatase non-receptor type 11 | IC50 | = | 1.1 | nM | 8.96 | SHP2 Biochemical Assay (with IRSI_2pY): The inhibition of SHP2 by compounds of t... | - |
| Tyrosine-protein phosphatase non-receptor type 11 | IC50 | = | 1.4 | nM | 8.85 | SHP2 Biochemical Assay: The inhibition of SHP2 by compounds of the invention was... | - |
| Tyrosine-protein phosphatase non-receptor type 11 | IC50 | = | 470.0 | nM | 6.33 | Biochemical Assay: The inhibition of SHP2 by compounds of the invention was moni... | - |
Data from ChEMBL 36 via Core Engine