Compound Detail
CHEMBL1452440
Enter ChEMBL ID:
Free Research Context
This compound will appear in recent viewed items on the research home for this browser.
Research home
View demo workspace
Basic Information
| ChEMBL ID | CHEMBL1452440 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | UFZHQEXDMZQDGA-UHFFFAOYSA-N |
3
Targets
4
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
355.4
MW (Da)
3.06
ALogP
4
HBA
2
HBD
83.5
PSA (Ų)
0.83
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 4.96
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Tyrosine-protein phosphatase non-receptor type 7 CHEMBL2219 | IC50 | 4.96 | 4.96 | 11000.0 | 1 |
| Dual specificity protein phosphatase 6 CHEMBL5511 | IC50 | 4.28 | 4.255 | 52200.0 | 2 |
| Glyceraldehyde-3-phosphate dehydrogenase CHEMBL2284 | IC50 | 4.25 | 4.25 | 56400.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Tyrosine-protein phosphatase non-receptor type 7 | IC50 | = | 11000.0 | nM | 4.96 | PUBCHEM_BIOASSAY: In Vitro HePTP Dose Response Colorimetric Assay for SAR Study.... | - |
| Dual specificity protein phosphatase 6 | IC50 | = | 52200.0 | nM | 4.28 | PUBCHEM_BIOASSAY: MKP-3 in vitro secondary assay for identification of irreversi... | - |
| Glyceraldehyde-3-phosphate dehydrogenase | IC50 | = | 56400.0 | nM | 4.25 | PUBCHEM_BIOASSAY: GAPDH Dose Response Colorimetric Assay. (Class of assay: confi... | - |
| Dual specificity protein phosphatase 6 | IC50 | = | 58700.0 | nM | 4.23 | PUBCHEM_BIOASSAY: In Vitro MKP-3 Dose Response Assay for SAR Study. (Class of as... | - |
Data from ChEMBL 36 via Core Engine