Compound Detail
CHEMBL1376870
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 | CHEMBL1376870 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | QYUJXIHOGIEIGB-UHFFFAOYSA-N |
4
Targets
6
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
229.3
MW (Da)
2.53
ALogP
2
HBA
2
HBD
49.3
PSA (Ų)
0.73
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 6 meas. best 6.39
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Tyrosine-protein phosphatase non-receptor type 7 CHEMBL2219 | IC50 | 6.39 | 5.6 | 410.0 | 2 |
| Heat shock 70 kDa protein 1A CHEMBL5460 | IC50 | 5.32 | 5.32 | 4770.0 | 1 |
| Dual specificity protein phosphatase 6 CHEMBL5511 | IC50 | 5.1 | 5.1 | 7920.0 | 2 |
| Glyceraldehyde-3-phosphate dehydrogenase CHEMBL2284 | IC50 | 4.15 | 4.15 | 70700.0 | 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 | = | 410.0 | nM | 6.39 | PUBCHEM_BIOASSAY: HTS Discovery of Chemical Inhibitors of HePTP, a Leukemia Targ... | - |
| Heat shock 70 kDa protein 1A | IC50 | = | 4770.0 | nM | 5.32 | PUBCHEM_BIOASSAY: In Vitro Hsp70 Dose Response Fluorescence Polarization Assay f... | - |
| Dual specificity protein phosphatase 6 | IC50 | = | 8000.0 | nM | 5.1 | PUBCHEM_BIOASSAY: MKP-3 in vitro secondary assay for identification of irreversi... | - |
| Dual specificity protein phosphatase 6 | IC50 | = | 7920.0 | nM | 5.1 | PUBCHEM_BIOASSAY: In Vitro MKP-3 Dose Response Assay for SAR Study. (Class of as... | - |
| Tyrosine-protein phosphatase non-receptor type 7 | IC50 | = | 15600.0 | nM | 4.81 | PUBCHEM_BIOASSAY: In Vitro HePTP Dose Response Colorimetric Assay for SAR Study.... | - |
| Glyceraldehyde-3-phosphate dehydrogenase | IC50 | = | 70700.0 | nM | 4.15 | PUBCHEM_BIOASSAY: GAPDH Dose Response Colorimetric Assay. (Class of assay: confi... | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 37874947 | 10.1021/acs.jmedchem.3c01277 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine