Compound Detail
CHEMBL1334684
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Basic Information
| ChEMBL ID | CHEMBL1334684 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ICOHVCVFOZOLOK-UHFFFAOYSA-N |
4
Targets
4
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
341.4
MW (Da)
3.71
ALogP
4
HBA
2
HBD
75.6
PSA (Ų)
0.65
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 6.08
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Tyrosine-protein phosphatase non-receptor type 7 CHEMBL2219 | IC50 | 6.08 | 6.08 | 840.0 | 1 |
| Dual specificity protein phosphatase 6 CHEMBL5511 | IC50 | 5.74 | 5.74 | 1830.0 | 1 |
| Nuclear receptor subfamily 4immunitygroup A member 1 CHEMBL1293229 | IC50 | 5.7 | 5.7 | 1997.9 | 1 |
| Dual specificity protein phosphatase 1 CHEMBL6026 | IC50 | 5.1 | 5.1 | 8000.0 | 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 | = | 840.0 | nM | 6.08 | PUBCHEM_BIOASSAY: HTS Discovery of Chemical Inhibitors of HePTP, a Leukemia Targ... | - |
| Dual specificity protein phosphatase 6 | IC50 | = | 1830.0 | nM | 5.74 | PUBCHEM_BIOASSAY: MKP-3 in vitro HTS assay. (Class of assay: confirmatory) [Rela... | - |
| Nuclear receptor subfamily 4immunitygroup A member 1 | IC50 | = | 1997.9 | nM | 5.7 | PUBCHEM_BIOASSAY: High Throughput Fluorescence Polarization Screen for Bcl-B Phe... | - |
| Dual specificity protein phosphatase 1 | IC50 | = | 8000.0 | nM | 5.1 | Inhibition of 6His-tagged recombinant MKP1 (unknown origin) expressed in Escheri... | 37874947 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 37874947 | 10.1021/acs.jmedchem.3c01277 | Dual specificity protein phosphatase 1 | 1 |
Data from ChEMBL 36 via Core Engine