Compound Detail
CHEMBL5208192
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
FCCCN1CC(Oc2ccc(Oc3c(-c4ccc(F)cc4C4(F)CC4)sc4c3ccc3[nH]ncc34)cc2)C1
Basic Information
| ChEMBL ID | CHEMBL5208192 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | NJYRTAIQGRWMJE-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
549.6
MW (Da)
7.76
ALogP
5
HBA
1
HBD
50.4
PSA (Ų)
0.20
QED
2
Ro5 Violations
9
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 8.28
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| MCF7 CHEMBL387 | IC50 | 8.28 | 8.28 | 5.3 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| MCF7 | IC50 | = | 5.3 | nM | 8.28 | Antiproliferative activity against human MCF7 cells assessed as inhibition of ce... | 35357160 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 35357160 | 10.1021/acs.jmedchem.2c00008 | Estrogen receptor | 3 |
| 35357160 | 10.1021/acs.jmedchem.2c00008 | MCF7 | 1 |
| 35357160 | 10.1021/acs.jmedchem.2c00008 | Voltage-gated inwardly rectifying potassium channel KCNH2 | 1 |
Data from ChEMBL 36 via Core Engine