Compound Detail
CHEMBL1325664
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Basic Information
| ChEMBL ID | CHEMBL1325664 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | OXPGJYNPCBJVCP-PFONDFGASA-N |
3
Targets
4
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
390.5
MW (Da)
2.88
ALogP
5
HBA
1
HBD
77.9
PSA (Ų)
0.46
QED
0
Ro5 Violations
6
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 |
|---|---|---|---|---|---|
| Carboxy-terminal domain RNA polymerase II polypeptide A small phosphatase 1 CHEMBL1795098 | IC50 | 6.08 | 6.08 | 836.0 | 1 |
| Dual specificity protein phosphatase 3 CHEMBL2635 | IC50 | 5.62 | 5.42 | 2400.0 | 2 |
| Induced myeloid leukemia cell differentiation protein Mcl-1 CHEMBL4361 | IC50 | 5.55 | 5.55 | 2809.2 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Carboxy-terminal domain RNA polymerase II polypeptide A small phosphatase 1 | IC50 | = | 836.0 | nM | 6.08 | PUBCHEM_BIOASSAY: Dose Response confirmation of uHTS hits for Scp-1 phosphatase ... | - |
| Dual specificity protein phosphatase 3 | IC50 | = | 2400.0 | nM | 5.62 | PUBCHEM_BIOASSAY: Fluorescent assay for identification of compounds that inhibit... | - |
| Induced myeloid leukemia cell differentiation protein Mcl-1 | IC50 | = | 2809.23 | nM | 5.55 | PUBCHEM_BIOASSAY: Dose Response Confirmation for Mcl-1/Noxa Interaction Inhibito... | - |
| Dual specificity protein phosphatase 3 | IC50 | = | 5970.0 | nM | 5.22 | PUBCHEM_BIOASSAY: uHTS absorbance assay for the identification of compounds that... | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| - | 10.1039/C2MD00211F | Histone acetyltransferase KAT2B | 1 |
Data from ChEMBL 36 via Core Engine