Compound Detail
CHEMBL1570803
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Basic Information
| ChEMBL ID | CHEMBL1570803 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | VDXRBMQGNOBXBK-UHFFFAOYSA-N |
4
Targets
5
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
315.4
MW (Da)
3.18
ALogP
4
HBA
2
HBD
75.6
PSA (Ų)
0.50
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 5 meas. best 5.4
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Dual specificity protein phosphatase 6 CHEMBL5511 | IC50 | 5.4 | 4.89 | 4020.0 | 2 |
| Tyrosine-protein phosphatase non-receptor type 7 CHEMBL2219 | IC50 | 4.98 | 4.98 | 10400.0 | 1 |
| Heat shock 70 kDa protein 1A CHEMBL5460 | IC50 | 4.2 | 4.2 | 63300.0 | 1 |
| Glyceraldehyde-3-phosphate dehydrogenase CHEMBL2284 | IC50 | 4.12 | 4.12 | 76600.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Dual specificity protein phosphatase 6 | IC50 | = | 4020.0 | nM | 5.4 | PUBCHEM_BIOASSAY: In Vitro MKP-3 Dose Response Assay for SAR Study. (Class of as... | - |
| Tyrosine-protein phosphatase non-receptor type 7 | IC50 | = | 10400.0 | nM | 4.98 | PUBCHEM_BIOASSAY: In Vitro HePTP Dose Response Colorimetric Assay for SAR Study.... | - |
| Dual specificity protein phosphatase 6 | IC50 | = | 41800.0 | nM | 4.38 | PUBCHEM_BIOASSAY: MKP-3 in vitro secondary assay for identification of irreversi... | - |
| Heat shock 70 kDa protein 1A | IC50 | = | 63300.0 | nM | 4.2 | PUBCHEM_BIOASSAY: In Vitro Hsp70 Dose Response Fluorescence Polarization Assay f... | - |
| Glyceraldehyde-3-phosphate dehydrogenase | IC50 | = | 76600.0 | nM | 4.12 | PUBCHEM_BIOASSAY: GAPDH Dose Response Colorimetric Assay. (Class of assay: confi... | - |
Data from ChEMBL 36 via Core Engine