Compound Detail
CHEMBL171596
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 | CHEMBL171596 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | BMLOBNVUJHKONU-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
7
Publications
0
Known Names
Molecular Properties
222.3
MW (Da)
3.35
ALogP
1
HBA
1
HBD
28.7
PSA (Ų)
0.72
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 4.41
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Cytochrome P450 2B1 CHEMBL3335 | IC50 | 4.41 | 4.41 | 38904.5 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Cytochrome P450 2B1 | IC50 | = | 38904.51 | nM | 4.41 | Inhibitory potency to aminopyrine N-demethylase activity (P450) in hepatic micro... | 7120277 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| - | 10.1007/s00044-005-0125-z | 5-hydroxytryptamine receptor 2B | 2 |
| 7120277 | 10.1021/jm00350a002 | Cytochrome P450 2B1 | 1 |
| 7120277 | 10.1021/jm00350a002 | No relevant target | 1 |
| 17296301 | 10.1016/j.bmc.2007.01.039 | Candida albicans | 1 |
| 18998663 | 10.1021/jm800809f | Small conductance calcium-activated potassium channel protein 3 | 1 |
| - | 10.1007/s00044-005-0125-z | 5-hydroxytryptamine receptor 2C | 1 |
| - | 10.1007/s00044-005-0125-z | 5-hydroxytryptamine receptor 2A | 1 |
Data from ChEMBL 36 via Core Engine