Compound Detail
CHEMBL5850367
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Basic Information
| ChEMBL ID | CHEMBL5850367 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | QWFCVDPZBKASNN-UHFFFAOYSA-N |
2
Targets
4
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
393.5
MW (Da)
5.53
ALogP
2
HBA
2
HBD
66.4
PSA (Ų)
0.72
QED
1
Ro5 Violations
4
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 6.26
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Cytochrome P450 26B1 CHEMBL3713687 | IC50 | 6.26 | 6.26 | 550.0 | 2 |
| Cytochrome P450 26A1 CHEMBL5141 | IC50 | 5.08 | 5.08 | 8230.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Cytochrome P450 26B1 | IC50 | = | 550.0 | nM | 6.26 | Cell-Based Inhibitor Assay: CYP26A1 or CYP26B1 stably transfected HeLa cells wer... | - |
| Cytochrome P450 26B1 | IC50 | = | 550.0 | nM | 6.26 | Retinoid Activity Assays: This retinoid activity assay measures the ability of t... | - |
| Cytochrome P450 26A1 | IC50 | = | 8230.0 | nM | 5.08 | Cell-Based Inhibitor Assay: CYP26A1 or CYP26B1 stably transfected HeLa cells wer... | - |
| Cytochrome P450 26A1 | IC50 | = | 8230.0 | nM | 5.08 | Retinoid Activity Assays: This retinoid activity assay measures the ability of t... | - |
Data from ChEMBL 36 via Core Engine