Compound Detail
CHEMBL450560
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Basic Information
| ChEMBL ID | CHEMBL450560 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | CNUSQFVELAQKEQ-VAWYXSNFSA-N |
3
Targets
5
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
316.4
MW (Da)
4.93
ALogP
2
HBA
2
HBD
57.5
PSA (Ų)
0.67
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 5 meas. best 4.89
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Tyrosine-protein phosphatase non-receptor type 1 CHEMBL335 | IC50 | 4.89 | 4.89 | 13000.0 | 1 |
| Unchecked CHEMBL612545 | IC50 | 4.36 | 4.295 | 44000.0 | 2 |
| Tyrosine-protein phosphatase non-receptor type 6 CHEMBL3166 | IC50 | 4.11 | 4.11 | 78000.0 | 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 | = | 13000.0 | nM | 4.89 | Inhibition of PTP1B | 18722777 |
| Unchecked | IC50 | = | 44000.0 | nM | 4.36 | Inhibition of PTP YOP | 18722777 |
| Unchecked | IC50 | = | 59000.0 | nM | 4.23 | Inhibition of YPTP1 | 18722777 |
| Tyrosine-protein phosphatase non-receptor type 6 | IC50 | = | 78000.0 | nM | 4.11 | Inhibition of PTP SHP1 | 18722777 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 18722777 | 10.1016/j.bmc.2008.07.090 | Unchecked | 3 |
| 18722777 | 10.1016/j.bmc.2008.07.090 | Tyrosine-protein phosphatase non-receptor type 1 | 1 |
| 18722777 | 10.1016/j.bmc.2008.07.090 | Tyrosine-protein phosphatase non-receptor type 2 | 1 |
| 18722777 | 10.1016/j.bmc.2008.07.090 | Tyrosine-protein phosphatase non-receptor type 6 | 1 |
Data from ChEMBL 36 via Core Engine