Compound Detail
CHEMBL1421887
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Basic Information
| ChEMBL ID | CHEMBL1421887 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | AXLALRSOFYMELF-UHFFFAOYSA-N |
6
Targets
6
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
427.6
MW (Da)
2.29
ALogP
7
HBA
1
HBD
88.6
PSA (Ų)
0.79
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 6 meas. best 5.49
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 | 5.49 | 5.49 | 3204.0 | 1 |
| Induced myeloid leukemia cell differentiation protein Mcl-1 CHEMBL4361 | IC50 | 5.35 | 5.35 | 4441.5 | 1 |
| Estrogen receptor CHEMBL206 | IC50 | 5.33 | 5.33 | 4691.8 | 1 |
| Estrogen receptor beta CHEMBL242 | IC50 | 5.28 | 5.28 | 5274.0 | 1 |
| DNA dC->dU-editing enzyme APOBEC-3A CHEMBL1741179 | IC50 | 4.98 | 4.98 | 10500.0 | 1 |
| DNA dC->dU-editing enzyme APOBEC-3G CHEMBL1741217 | IC50 | 4.47 | 4.47 | 33700.0 | 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 | = | 3204.0 | nM | 5.49 | PUBCHEM_BIOASSAY: Dose Response confirmation of uHTS hits for Scp-1 phosphatase ... | - |
| Induced myeloid leukemia cell differentiation protein Mcl-1 | IC50 | = | 4441.53 | nM | 5.35 | PUBCHEM_BIOASSAY: Dose Response Confirmation for Mcl-1/Noxa Interaction Inhibito... | - |
| Estrogen receptor | IC50 | = | 4691.78 | nM | 5.33 | PUBCHEM_BIOASSAY: Estrogen Receptor-alpha Coactivator Binding Inhibitors Dose Re... | - |
| Estrogen receptor beta | IC50 | = | 5274.02 | nM | 5.28 | PUBCHEM_BIOASSAY: Estrogen Receptor-beta Coactivator Binding Inhibitors ELISA Se... | - |
| DNA dC->dU-editing enzyme APOBEC-3A | IC50 | = | 10500.0 | nM | 4.98 | PUBCHEM_BIOASSAY: Dose Response confirmation of small molecule APOBEC3A DNA Deam... | - |
| DNA dC->dU-editing enzyme APOBEC-3G | IC50 | = | 33700.0 | nM | 4.47 | PUBCHEM_BIOASSAY: Dose Response confirmation of APOBEC3A DNA Deaminase Inhibitor... | - |
Data from ChEMBL 36 via Core Engine