Compound Detail
CHEMBL5785788
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Basic Information
| ChEMBL ID | CHEMBL5785788 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | WGVPSTQRQHGEEP-UHFFFAOYSA-N |
5
Targets
5
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
377.5
MW (Da)
4.78
ALogP
6
HBA
1
HBD
46.0
PSA (Ų)
0.53
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 5 meas. best 8.51
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Cytochrome P450 26B1 CHEMBL3713687 | IC50 | 8.51 | 8.51 | 3.1 | 1 |
| Cytochrome P450 26A1 CHEMBL5141 | IC50 | 8.37 | 8.37 | 4.3 | 1 |
| Cytochrome P450 3A4 CHEMBL340 | IC50 | 6.92 | 6.92 | 120.0 | 1 |
| Cytochrome P450 2C8 CHEMBL3721 | IC50 | 5.75 | 5.75 | 1760.0 | 1 |
| Cytochrome P450 2C9 CHEMBL3397 | IC50 | 5.24 | 5.24 | 5760.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Cytochrome P450 26B1 | IC50 | = | 3.1 | nM | 8.51 | Inhibition Assay: Eighteen compounds were tested as potential inhibitors of CYP2... | - |
| Cytochrome P450 26A1 | IC50 | = | 4.3 | nM | 8.37 | Inhibition Assay: Eighteen compounds were tested as potential inhibitors of CYP2... | - |
| Cytochrome P450 3A4 | IC50 | = | 120.0 | nM | 6.92 | Inhibition Assay: Compounds were assessed for inhibition (IC50, n=2) of CYP2C8, ... | - |
| Cytochrome P450 2C8 | IC50 | = | 1760.0 | nM | 5.75 | Inhibition Assay: Compounds were assessed for inhibition (IC50, n=2) of CYP2C8, ... | - |
| Cytochrome P450 2C9 | IC50 | = | 5760.0 | nM | 5.24 | Inhibition Assay: Compounds were assessed for inhibition (IC50, n=2) of CYP2C8, ... | - |
Data from ChEMBL 36 via Core Engine