Compound Detail
CHEMBL229671
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Basic Information
| ChEMBL ID | CHEMBL229671 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | PFQMUQWFRINBBG-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
338.4
MW (Da)
4.09
ALogP
5
HBA
3
HBD
90.9
PSA (Ų)
0.63
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 4.57
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Tyrosine-protein phosphatase non-receptor type 1 CHEMBL335 | IC50 | 4.57 | 4.57 | 26700.0 | 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 | = | 26700.0 | nM | 4.57 | Inhibition of human recombinant PTP1B | 17489632 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 17489632 | 10.1021/np060477+ | Tyrosine-protein phosphatase non-receptor type 1 | 1 |
| 33609662 | 10.1016/j.bmcl.2021.127859 | HeLa | 1 |
| 33609662 | 10.1016/j.bmcl.2021.127859 | MCF7 | 1 |
| 33609662 | 10.1016/j.bmcl.2021.127859 | HepG2 | 1 |
| 33609662 | 10.1016/j.bmcl.2021.127859 | NCI-H460 | 1 |
Data from ChEMBL 36 via Core Engine