Compound Detail
CHEMBL1448629
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Basic Information
| ChEMBL ID | CHEMBL1448629 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | VCMZPVCCQDEZRB-XGICHPGQSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
392.7
MW (Da)
3.27
ALogP
5
HBA
0
HBD
47.3
PSA (Ų)
0.50
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 6.75
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Tyrosine-protein phosphatase non-receptor type 7 CHEMBL2219 | IC50 | 6.75 | 6.75 | 180.0 | 1 |
| Dual specificity protein phosphatase 3 CHEMBL2635 | IC50 | 6.74 | 6.74 | 181.0 | 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 | = | 180.0 | nM | 6.75 | PUBCHEM_BIOASSAY: MOA HePTP Fluorescent secondary assay for identification of re... | - |
| Dual specificity protein phosphatase 3 | IC50 | = | 181.0 | nM | 6.74 | PUBCHEM_BIOASSAY: MOA VHR1 Fluorescent secondary assay for identification of red... | - |
Data from ChEMBL 36 via Core Engine