Compound Detail
CHEMBL5411203
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 | CHEMBL5411203 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | GOBKLLABEARPBM-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
396.4
MW (Da)
4.48
ALogP
6
HBA
1
HBD
78.1
PSA (Ų)
0.51
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 6.95
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Cytochrome P450 1B1 CHEMBL4878 | IC50 | 6.95 | 6.95 | 112.6 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Cytochrome P450 1B1 | IC50 | = | 112.63 | nM | 6.95 | Inhibition of recombinant CYP1B1 (unknown origin) using 7-ethoxyresorufin as sub... | 38031326 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 38031326 | 10.1021/acs.jmedchem.3c01474 | Cytochrome P450 1B1 | 1 |
Data from ChEMBL 36 via Core Engine