Compound Detail
CHEMBL4103516
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Basic Information
| ChEMBL ID | CHEMBL4103516 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | PVNDGPVAGMGTLC-UHFFFAOYSA-N |
1
Targets
4
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
383.6
MW (Da)
5.84
ALogP
3
HBA
1
HBD
32.7
PSA (Ų)
0.56
QED
1
Ro5 Violations
10
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 7.44
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Estrogen receptor CHEMBL206 | IC50 | 7.44 | 7.0225 | 36.0 | 4 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Estrogen receptor | IC50 | = | 36.0 | nM | 7.44 | Antagonist activity at FLAG-tagged ERalpha (unknown origin) expressed in HEK293 ... | 30940565 |
| Estrogen receptor | IC50 | = | 52.0 | nM | 7.28 | Binding affinity to GST-tagged human ER alpha ligand-binding domain by TR-FRET a... | 30940565 |
| Estrogen receptor | IC50 | = | 134.0 | nM | 6.87 | Antagonist activity at CMX-GAL4N fused human ERalpha expressed in HEK293 cells a... | 28400239 |
| Estrogen receptor | IC50 | = | 313.0 | nM | 6.5 | Displacement of Fluormone ES2 Green from full-length untagged human ERalpha expr... | 30108709 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 30940565 | 10.1016/j.bmc.2019.03.042 | Estrogen receptor | 5 |
| 30108709 | 10.1039/C6MD00553E | Estrogen receptor | 4 |
| 28400239 | 10.1016/j.bmcl.2017.03.066 | Estrogen receptor | 1 |
Data from ChEMBL 36 via Core Engine