Compound Detail
CHEMBL3132927
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Basic Information
| ChEMBL ID | CHEMBL3132927 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | QDLVMDKNRHBSHC-FNORWQNLSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
300.4
MW (Da)
3.89
ALogP
4
HBA
0
HBD
36.9
PSA (Ų)
0.76
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 6.3
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Cytochrome P450 1A1 CHEMBL2231 | IC50 | 6.3 | 6.3 | 500.0 | 1 |
| Cytochrome P450 1B1 CHEMBL4878 | IC50 | 6.21 | 6.21 | 620.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Cytochrome P450 1A1 | IC50 | = | 500.0 | nM | 6.3 | Inhibition of human recombinant CYP1A1 after 15 mins by 7-ethoxyresorufin-O-deet... | - |
| Cytochrome P450 1B1 | IC50 | = | 620.0 | nM | 6.21 | Inhibition of human recombinant CYP1B1 after 15 mins by 7-ethoxyresorufin-O-deet... | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| - | 10.1039/C3MD00317E | Unchecked | 2 |
| - | 10.1039/C3MD00317E | Cytochrome P450 1B1 | 1 |
| - | 10.1039/C3MD00317E | Cytochrome P450 1A2 | 1 |
| - | 10.1039/C3MD00317E | Cytochrome P450 1A1 | 1 |
Data from ChEMBL 36 via Core Engine