Compound Detail
CHEMBL1373720
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Basic Information
| ChEMBL ID | CHEMBL1373720 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | GJJFKEYOWCANIT-UHFFFAOYSA-N |
3
Targets
5
Activities
2
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
464.6
MW (Da)
4.42
ALogP
7
HBA
1
HBD
66.3
PSA (Ų)
0.59
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 5.96
EC50 2 meas. best 4.67
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Estrogen receptor beta CHEMBL242 | IC50 | 5.96 | 5.96 | 1103.6 | 1 |
| Bcl-2-related protein A1 CHEMBL1293239 | IC50 | 4.68 | 4.57 | 20800.0 | 2 |
| Unchecked CHEMBL612545 | EC50 | 4.67 | 4.44 | 21406.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Estrogen receptor beta | IC50 | = | 1103.59 | nM | 5.96 | PUBCHEM_BIOASSAY: Estrogen Receptor-beta Coactivator Binding Inhibitors ELISA Se... | - |
| Bcl-2-related protein A1 | IC50 | = | 20800.0 | nM | 4.68 | PUBCHEM_BIOASSAY: In Vitro Bfl-1 Dose Response Fluorescence Polarization Assay f... | - |
| Unchecked | EC50 | = | 21406.0 | nM | 4.67 | PUBCHEM_BIOASSAY: High Throughput Screen to Identify Compounds that Suppress the... | - |
| Bcl-2-related protein A1 | IC50 | = | 35100.0 | nM | 4.46 | PUBCHEM_BIOASSAY: TR-FRET secondary assay for HTS discovery of chemical inhibito... | - |
| Unchecked | EC50 | = | 61571.0 | nM | 4.21 | PUBCHEM_BIOASSAY: High Throughput Screen to Identify Compounds that Suppress the... | - |
Data from ChEMBL 36 via Core Engine