Compound Detail
CHEMBL1699305
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Basic Information
| ChEMBL ID | CHEMBL1699305 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | HHMRCZQPBNEGMH-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
329.3
MW (Da)
4.02
ALogP
2
HBA
2
HBD
32.3
PSA (Ų)
0.66
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 4.51
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Tyrosine-protein phosphatase non-receptor type 7 CHEMBL2219 | IC50 | 4.51 | 4.51 | 30900.0 | 1 |
| Dual specificity protein phosphatase 3 CHEMBL2635 | IC50 | 4.39 | 4.39 | 40900.0 | 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 | = | 30900.0 | nM | 4.51 | PUBCHEM_BIOASSAY: SAR analysis of chemical inhibitors of HePTP using a Fluoresce... | - |
| Dual specificity protein phosphatase 3 | IC50 | = | 40900.0 | nM | 4.39 | PUBCHEM_BIOASSAY: SAR VHR1 Fluorescent Assay for In Vitro dose response studies ... | - |
Data from ChEMBL 36 via Core Engine