Compound Detail
CHEMBL571296
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Basic Information
| ChEMBL ID | CHEMBL571296 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | NRLUONFWDLIFKS-UHFFFAOYSA-N |
4
Targets
6
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
337.4
MW (Da)
1.19
ALogP
7
HBA
2
HBD
102.9
PSA (Ų)
0.80
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 6 meas. best 5.61
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Tyrosine-protein phosphatase non-receptor type 7 CHEMBL2219 | IC50 | 5.61 | 5.61 | 2430.0 | 1 |
| Carboxy-terminal domain RNA polymerase II polypeptide A small phosphatase 1 CHEMBL1795098 | IC50 | 5.56 | 5.56 | 2772.0 | 1 |
| Induced myeloid leukemia cell differentiation protein Mcl-1 CHEMBL4361 | IC50 | 5.5 | 5.285 | 3160.8 | 2 |
| Unchecked CHEMBL612545 | IC50 | 5.0 | 5.0 | 10000.0 | 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 | = | 2430.0 | nM | 5.61 | PUBCHEM_BIOASSAY: HTS Discovery of Chemical Inhibitors of HePTP, a Leukemia Targ... | - |
| Carboxy-terminal domain RNA polymerase II polypeptide A small phosphatase 1 | IC50 | = | 2772.0 | nM | 5.56 | PUBCHEM_BIOASSAY: Dose Response confirmation of uHTS hits for Scp-1 phosphatase ... | - |
| Induced myeloid leukemia cell differentiation protein Mcl-1 | IC50 | = | 3160.83 | nM | 5.5 | PUBCHEM_BIOASSAY: Dose Response Confirmation for Mcl-1/Noxa Interaction Inhibito... | - |
| Induced myeloid leukemia cell differentiation protein Mcl-1 | IC50 | = | 8582.0 | nM | 5.07 | PUBCHEM_BIOASSAY: Fluorescence polarization-based biochemical high throughput do... | - |
| Unchecked | IC50 | = | 10000.0 | nM | 5.0 | Inhibition of Beta-lactamase AmpC by quantitative high throughput screening | 19908840 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 19908840 | 10.1021/jm901070c | Cruzipain | 2 |
| 19908840 | 10.1021/jm901070c | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine