Compound Detail
CHEMBL1577661
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Basic Information
| ChEMBL ID | CHEMBL1577661 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | RDUQAOLDJRZPCF-UHFFFAOYSA-N |
4
Targets
5
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
399.5
MW (Da)
2.07
ALogP
6
HBA
0
HBD
80.8
PSA (Ų)
0.68
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 5 meas. best 5.92
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Tyrosine-protein phosphatase non-receptor type 7 CHEMBL2219 | IC50 | 5.92 | 5.92 | 1210.0 | 1 |
| Estrogen receptor beta CHEMBL242 | IC50 | 5.72 | 5.715 | 1910.9 | 2 |
| Estrogen receptor CHEMBL206 | IC50 | 5.53 | 5.53 | 2947.6 | 1 |
| Nuclear receptor subfamily 4immunitygroup A member 1 CHEMBL1293229 | IC50 | 4.58 | 4.58 | 26581.0 | 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 | = | 1210.0 | nM | 5.92 | PUBCHEM_BIOASSAY: HTS Discovery of Chemical Inhibitors of HePTP, a Leukemia Targ... | - |
| Estrogen receptor beta | IC50 | = | 1910.93 | nM | 5.72 | PUBCHEM_BIOASSAY: Estrogen Receptor-beta Coactivator Binding Inhibitors Dose Res... | - |
| Estrogen receptor beta | IC50 | = | 1935.08 | nM | 5.71 | PUBCHEM_BIOASSAY: Estrogen Receptor-beta Coactivator Binding Inhibitors ELISA Se... | - |
| Estrogen receptor | IC50 | = | 2947.59 | nM | 5.53 | PUBCHEM_BIOASSAY: Estrogen Receptor-alpha Coactivator Binding Inhibitors Dose Re... | - |
| Nuclear receptor subfamily 4immunitygroup A member 1 | IC50 | = | 26581.0 | nM | 4.58 | PUBCHEM_BIOASSAY: High Throughput Fluorescence Polarization Screen for Bcl-B Phe... | - |
Data from ChEMBL 36 via Core Engine