Compound Detail
CHEMBL1300008
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Basic Information
| ChEMBL ID | CHEMBL1300008 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | YCSRTHAGBVGRFC-UHFFFAOYSA-N |
3
Targets
4
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
449.5
MW (Da)
3.77
ALogP
7
HBA
1
HBD
86.2
PSA (Ų)
0.47
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 5.31
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 | 5.31 | 5.31 | 4928.0 | 1 |
| Estrogen receptor beta CHEMBL242 | IC50 | 5.18 | 4.89 | 6565.4 | 2 |
| Estrogen receptor CHEMBL206 | IC50 | 5.14 | 5.14 | 7237.5 | 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 | = | 4928.0 | nM | 5.31 | PUBCHEM_BIOASSAY: Dose Response confirmation of uHTS hits for Scp-1 phosphatase ... | - |
| Estrogen receptor beta | IC50 | = | 6565.37 | nM | 5.18 | PUBCHEM_BIOASSAY: Estrogen Receptor-beta Coactivator Binding Inhibitors Dose Res... | - |
| Estrogen receptor | IC50 | = | 7237.52 | nM | 5.14 | PUBCHEM_BIOASSAY: Estrogen Receptor-alpha Coactivator Binding Inhibitors Dose Re... | - |
| Estrogen receptor beta | IC50 | = | 24908.2 | nM | 4.6 | PUBCHEM_BIOASSAY: Estrogen Receptor-beta Coactivator Binding Inhibitors ELISA Se... | - |
Data from ChEMBL 36 via Core Engine