Compound Detail
CHEMBL1506716
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Basic Information
| ChEMBL ID | CHEMBL1506716 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ZUOHMTWRFCETKE-UHFFFAOYSA-N |
4
Targets
4
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
271.3
MW (Da)
2.83
ALogP
3
HBA
2
HBD
49.3
PSA (Ų)
0.84
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 6.79
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Estrogen receptor beta CHEMBL242 | IC50 | 6.79 | 6.79 | 161.1 | 1 |
| Tyrosine-protein phosphatase non-receptor type 7 CHEMBL2219 | IC50 | 5.94 | 5.94 | 1150.0 | 1 |
| Estrogen receptor CHEMBL206 | IC50 | 5.52 | 5.52 | 3016.4 | 1 |
| Carboxy-terminal domain RNA polymerase II polypeptide A small phosphatase 1 CHEMBL1795098 | IC50 | 5.27 | 5.27 | 5327.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Estrogen receptor beta | IC50 | = | 161.11 | nM | 6.79 | PUBCHEM_BIOASSAY: Estrogen Receptor-beta Coactivator Binding Inhibitors ELISA Se... | - |
| Tyrosine-protein phosphatase non-receptor type 7 | IC50 | = | 1150.0 | nM | 5.94 | PUBCHEM_BIOASSAY: HTS Discovery of Chemical Inhibitors of HePTP, a Leukemia Targ... | - |
| Estrogen receptor | IC50 | = | 3016.42 | nM | 5.52 | PUBCHEM_BIOASSAY: Estrogen Receptor-alpha Coactivator Binding Inhibitors Dose Re... | - |
| Carboxy-terminal domain RNA polymerase II polypeptide A small phosphatase 1 | IC50 | = | 5327.0 | nM | 5.27 | PUBCHEM_BIOASSAY: Dose Response confirmation of uHTS hits for Scp-1 phosphatase ... | - |
Data from ChEMBL 36 via Core Engine