Compound Detail
CHEMBL3787564
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Basic Information
| ChEMBL ID | CHEMBL3787564 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ZEBPEUMIMQCCQD-UHFFFAOYSA-N |
3
Targets
4
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
366.5
MW (Da)
5.00
ALogP
3
HBA
1
HBD
63.6
PSA (Ų)
0.76
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 6.03
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Cytochrome P450 26B1 CHEMBL3713687 | IC50 | 6.03 | 6.03 | 930.0 | 1 |
| Cytochrome P450 3A4 CHEMBL340 | IC50 | 6.0 | 6.0 | 1005.0 | 1 |
| Cytochrome P450 26A1 CHEMBL5141 | IC50 | 5.4 | 5.38 | 4000.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Cytochrome P450 26B1 | IC50 | = | 930.0 | nM | 6.03 | Inhibition of microsomal fraction of human CYP26B1 expressed in Sf9 cells using ... | 26918322 |
| Cytochrome P450 3A4 | IC50 | = | 1005.0 | nM | 6.0 | Inhibition Assay: Compounds were assessed for inhibition (IC50, n=2) of CYP2C8, ... | - |
| Cytochrome P450 26A1 | IC50 | = | 4000.0 | nM | 5.4 | Inhibition of microsomal fraction of human CYP26A1 expressed in Sf9 cells using ... | 26918322 |
| Cytochrome P450 26A1 | IC50 | = | 4400.0 | nM | 5.36 | Inhibition Assay: Eighteen compounds were tested as potential inhibitors of CYP2... | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 26918322 | 10.1021/acs.jmedchem.5b01780 | Cytochrome P450 26B1 | 1 |
| 26918322 | 10.1021/acs.jmedchem.5b01780 | Cytochrome P450 26A1 | 1 |
Data from ChEMBL 36 via Core Engine