Compound Detail
CHEMBL1324290
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Basic Information
| ChEMBL ID | CHEMBL1324290 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | MCLGJNMZISJKDP-UHFFFAOYSA-N |
2
Targets
3
Activities
2
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
404.5
MW (Da)
4.17
ALogP
8
HBA
1
HBD
102.6
PSA (Ų)
0.44
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 2 meas. best 4.71
IC50 1 meas. best 5.17
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Estrogen receptor CHEMBL206 | IC50 | 5.17 | 5.17 | 6840.1 | 1 |
| Unchecked CHEMBL612545 | EC50 | 4.71 | 4.635 | 19700.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Estrogen receptor | IC50 | = | 6840.09 | nM | 5.17 | PUBCHEM_BIOASSAY: Estrogen Receptor-alpha Coactivator Binding Inhibitors Dose Re... | - |
| Unchecked | EC50 | = | 19700.0 | nM | 4.71 | PUBCHEM_BIOASSAY: Dose response counterscreen for uHTS small molecule activators... | - |
| Unchecked | EC50 | = | 27800.0 | nM | 4.56 | PUBCHEM_BIOASSAY: Dose response confirmation of small molecule activators of the... | - |
Data from ChEMBL 36 via Core Engine