Compound Detail
CHEMBL1490701
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Basic Information
| ChEMBL ID | CHEMBL1490701 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | MCIYJCSAOJOHTR-UHFFFAOYSA-N |
2
Targets
3
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
411.5
MW (Da)
5.11
ALogP
4
HBA
2
HBD
75.6
PSA (Ų)
0.35
QED
1
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 5.47
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Dual specificity protein phosphatase 6 CHEMBL5511 | IC50 | 5.47 | 5.465 | 3400.0 | 2 |
| Tyrosine-protein phosphatase non-receptor type 7 CHEMBL2219 | IC50 | 5.25 | 5.25 | 5620.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Dual specificity protein phosphatase 6 | IC50 | = | 3400.0 | nM | 5.47 | PUBCHEM_BIOASSAY: MKP-3 in vitro secondary assay for identification of irreversi... | - |
| Dual specificity protein phosphatase 6 | IC50 | = | 3505.0 | nM | 5.46 | PUBCHEM_BIOASSAY: In Vitro MKP-3 Dose Response Assay for SAR Study. (Class of as... | - |
| Tyrosine-protein phosphatase non-receptor type 7 | IC50 | = | 5620.0 | nM | 5.25 | PUBCHEM_BIOASSAY: In Vitro HePTP Dose Response Colorimetric Assay for SAR Study.... | - |
Data from ChEMBL 36 via Core Engine