Compound Detail
CHEMBL389704
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Basic Information
| ChEMBL ID | CHEMBL389704 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ZHTDDOWJIRXOMA-YVEZLPLXSA-N |
1
Targets
2
Activities
1
Assay Types
1
PK Parameters
5
Publications
0
Known Names
Molecular Properties
286.4
MW (Da)
3.25
ALogP
3
HBA
2
HBD
57.5
PSA (Ų)
0.77
QED
0
Ro5 Violations
0
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 2 meas. best 4.9
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Estrogen receptor CHEMBL206 | EC50 | 4.9 | 4.9 | 12520.6 | 1 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| Ka | 1090000000.0 | M-1 | - |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Estrogen receptor | EC50 | = | 12520.62 | nM | 4.9 | PUBCHEM_BIOASSAY: Estrogen Receptor-alpha Coactivator Binding Potentiators Dose ... | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 9357533 | 10.1021/jm9703294 | Estrogen receptor | 1 |
| 9357533 | 10.1021/jm9703294 | MCF7 | 1 |
| 17110114 | 10.1016/j.bmc.2006.10.055 | 17-beta-hydroxysteroid dehydrogenase type 1 | 1 |
| 894681 | 10.1021/jm00218a022 | Estrogen receptor | 1 |
| 27687674 | 10.1016/j.bmcl.2016.09.046 | Cytochrome P450 1B1 | 1 |
Data from ChEMBL 36 via Core Engine