Compound Detail
CHEMBL1427879
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Basic Information
| ChEMBL ID | CHEMBL1427879 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | MPTMBWCEQLUCHP-UHFFFAOYSA-N |
5
Targets
6
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
347.4
MW (Da)
2.40
ALogP
7
HBA
2
HBD
101.4
PSA (Ų)
0.47
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 6 meas. best 5.57
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 | 5.57 | 5.57 | 2668.0 | 1 |
| Estrogen receptor CHEMBL206 | IC50 | 5.51 | 5.51 | 3062.6 | 1 |
| Induced myeloid leukemia cell differentiation protein Mcl-1 CHEMBL4361 | IC50 | 5.43 | 4.975 | 3693.3 | 2 |
| Leucine aminopeptidase CHEMBL1293313 | IC50 | 4.93 | 4.93 | 11800.0 | 1 |
| Ubiquitin carboxyl-terminal hydrolase BAP1 CHEMBL1293314 | IC50 | 4.63 | 4.63 | 23329.7 | 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 | = | 2668.0 | nM | 5.57 | PUBCHEM_BIOASSAY: Dose Response confirmation of uHTS hits for Scp-1 phosphatase ... | - |
| Estrogen receptor | IC50 | = | 3062.6 | nM | 5.51 | PUBCHEM_BIOASSAY: Estrogen Receptor-alpha Coactivator Binding Inhibitors Dose Re... | - |
| Induced myeloid leukemia cell differentiation protein Mcl-1 | IC50 | = | 3693.32 | nM | 5.43 | PUBCHEM_BIOASSAY: Dose Response Confirmation for Mcl-1/Noxa Interaction Inhibito... | - |
| Leucine aminopeptidase | IC50 | = | 11800.0 | nM | 4.93 | PUBCHEM_BIOASSAY: Inhibitors of Plasmodium falciparum M17- Family Leucine Aminop... | - |
| Ubiquitin carboxyl-terminal hydrolase BAP1 | IC50 | = | 23329.7 | nM | 4.63 | PUBCHEM_BIOASSAY: BAP1 Enzyme inhibitors Dose Response Confirmation. (Class of a... | - |
| Induced myeloid leukemia cell differentiation protein Mcl-1 | IC50 | = | 30325.0 | nM | 4.52 | PUBCHEM_BIOASSAY: Fluorescence polarization-based biochemical high throughput do... | - |
Data from ChEMBL 36 via Core Engine