Compound Detail
CHEMBL354972
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Basic Information
| ChEMBL ID | CHEMBL354972 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | IQJMWFVIAPBMBL-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
242.7
MW (Da)
3.81
ALogP
1
HBA
1
HBD
28.7
PSA (Ų)
0.73
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 5.0
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | IC50 | 5.0 | 5.0 | 10000.0 | 1 |
| Cytochrome P450 2B1 CHEMBL3335 | IC50 | 4.64 | 4.64 | 22908.7 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | IC50 | = | 10000.0 | nM | 5.0 | Inhibition of LPS induced NF-kappa-B transcriptional activity in mouse RAW264.7 ... | 26976506 |
| Cytochrome P450 2B1 | IC50 | = | 22908.68 | nM | 4.64 | Inhibitory potency to aminopyrine N-demethylase activity (P450) in hepatic micro... | 7120277 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 26976506 | 10.1016/j.bmc.2016.03.012 | Unchecked | 2 |
| 7120277 | 10.1021/jm00350a002 | Cytochrome P450 2B1 | 1 |
| 7120277 | 10.1021/jm00350a002 | No relevant target | 1 |
Data from ChEMBL 36 via Core Engine