Compound Detail
CHEMBL3915397
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Basic Information
| ChEMBL ID | CHEMBL3915397 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | SJWDPQWJAGOLBQ-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
292.2
MW (Da)
1.11
ALogP
7
HBA
3
HBD
113.3
PSA (Ų)
0.56
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 5.51
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Toll-like receptor 1/2 CHEMBL3885644 | IC50 | 5.51 | 5.51 | 3110.0 | 1 |
| Tyrosine-protein phosphatase non-receptor type 11 CHEMBL3864 | IC50 | 5.06 | 5.06 | 8658.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Toll-like receptor 1/2 | IC50 | = | 3110.0 | nM | 5.51 | Antagonist activity at TLR1/2 in mouse RAW264.7 cells assessed as inhibition of ... | - |
| Tyrosine-protein phosphatase non-receptor type 11 | IC50 | = | 8658.0 | nM | 5.06 | Inhibition of recombinant human SHP2 expressed in Escherichia coli using 2P-IRS1... | 31784318 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 31784318 | 10.1016/j.bmcl.2019.126756 | Tyrosine-protein phosphatase non-receptor type 11 | 2 |
Data from ChEMBL 36 via Core Engine