Compound Detail
CHEMBL3356397
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Basic Information
| ChEMBL ID | CHEMBL3356397 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | JIGCTXHIECXYRJ-ILWBRPEASA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
8
Publications
0
Known Names
Molecular Properties
338.6
MW (Da)
6.93
ALogP
2
HBA
0
HBD
26.3
PSA (Ų)
0.25
QED
1
Ro5 Violations
14
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 4.3
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Tyrosine-protein phosphatase non-receptor type 1 CHEMBL335 | IC50 | 4.3 | 4.3 | 50020.0 | 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 | = | 50020.0 | nM | 4.3 | Inhibition of purified recombinant PTP1B catalytic domain (unknown origin) using... | 25497963 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 25497963 | 10.1016/j.bmc.2014.11.031 | Tyrosine-protein phosphatase non-receptor type 2 | 1 |
| 25497963 | 10.1016/j.bmc.2014.11.031 | Tyrosine-protein phosphatase non-receptor type 1 | 1 |
| 25497963 | 10.1016/j.bmc.2014.11.031 | M-phase inducer phosphatase 2 | 1 |
| 25497963 | 10.1016/j.bmc.2014.11.031 | Tyrosine-protein phosphatase non-receptor type 6 | 1 |
| 25497963 | 10.1016/j.bmc.2014.11.031 | Tyrosine-protein phosphatase non-receptor type 11 | 1 |
| 25497963 | 10.1016/j.bmc.2014.11.031 | Receptor-type tyrosine-protein phosphatase F | 1 |
| 25497963 | 10.1016/j.bmc.2014.11.031 | NON-PROTEIN TARGET | 1 |
| 25497963 | 10.1016/j.bmc.2014.11.031 | A549 | 1 |
Data from ChEMBL 36 via Core Engine