Compound Detail
CHEMBL360005
Enter ChEMBL ID:
Free Research Context
This compound will appear in recent viewed items on the research home for this browser.
Research home
View demo workspace
Basic Information
| ChEMBL ID | CHEMBL360005 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | BPIWCLNTNZQVRB-UHFFFAOYSA-N |
2
Targets
5
Activities
3
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
465.6
MW (Da)
6.20
ALogP
4
HBA
2
HBD
52.9
PSA (Ų)
0.32
QED
1
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 7.17
Ki 2 meas. best 8.11
EC50 1 meas. best 7.55
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | Ki | 8.11 | 7.755 | 7.7 | 2 |
| Estrogen receptor CHEMBL2093866 | EC50 | 7.55 | 7.55 | 28.0 | 1 |
| Estrogen receptor CHEMBL2093866 | IC50 | 7.17 | 6.705 | 68.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | Ki | = | 7.7 | nM | 8.11 | Inhibition of [3H]estradiol binding to Estrogen receptor alpha | 15380208 |
| Estrogen receptor | EC50 | = | 28.0 | nM | 7.55 | Agonist activity as alkaline phosphatase induction in Ishikawa endometrial cells... | 15380208 |
| Unchecked | Ki | = | 40.0 | nM | 7.4 | Inhibition of [3H]estradiol binding to Estrogen receptor beta | 15380208 |
| Estrogen receptor | IC50 | = | 68.0 | nM | 7.17 | Antagonist effect against 10 pM 17-beta-estradiol induced MCF-7 cell proliferati... | 15380208 |
| Estrogen receptor | IC50 | = | 580.0 | nM | 6.24 | Antagonist activity as inhibition of 1 nM 17-beta-estradiol stimulated alkaline ... | 15380208 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 15380208 | 10.1016/j.bmcl.2004.07.072 | Estrogen receptor | 6 |
| 15380208 | 10.1016/j.bmcl.2004.07.072 | Unchecked | 2 |
Data from ChEMBL 36 via Core Engine