Compound Detail
CHEMBL3892140
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Basic Information
| ChEMBL ID | CHEMBL3892140 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | MEKWIWDKLWHUII-MXEMCNAFSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
312.4
MW (Da)
5.25
ALogP
2
HBA
1
HBD
29.5
PSA (Ų)
0.66
QED
1
Ro5 Violations
0
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 4.96
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Tyrosine-protein phosphatase non-receptor type 1 CHEMBL335 | IC50 | 4.96 | 4.96 | 11000.0 | 1 |
| Unchecked CHEMBL612545 | IC50 | 4.86 | 4.86 | 13900.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Tyrosine-protein phosphatase non-receptor type 1 | IC50 | = | 11000.0 | nM | 4.96 | Inhibition of recombinant human PTP1B (1 to 322 residues) expressed in Escherich... | 27336796 |
| Unchecked | IC50 | = | 13900.0 | nM | 4.86 | Inhibition of SOAT-mediated oleic acid-induced [14C]cholesterol ester accumulati... | 31253530 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 31253530 | 10.1016/j.bmcl.2019.06.026 | Unchecked | 2 |
| 27336796 | 10.1021/acs.jnatprod.6b00367 | Tyrosine-protein phosphatase non-receptor type 1 | 1 |
| 31253530 | 10.1016/j.bmcl.2019.06.026 | CHO-K1 | 1 |
Data from ChEMBL 36 via Core Engine