Compound Detail
CHEMBL1766003
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Basic Information
| ChEMBL ID | CHEMBL1766003 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | LPYACPINNUETJT-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
7
Publications
0
Known Names
Molecular Properties
399.5
MW (Da)
5.57
ALogP
5
HBA
1
HBD
56.1
PSA (Ų)
0.43
QED
1
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 8.22
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Cytochrome P450 26A1 CHEMBL5141 | IC50 | 8.22 | 8.22 | 6.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Cytochrome P450 26A1 | IC50 | = | 6.0 | nM | 8.22 | Inhibition of CYP26A1 in human MCF7 cell microsomes using [3H]ATRA after 1 hr by... | 21428449 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 21428449 | 10.1021/jm101583w | Cytochrome P450 26A1 | 1 |
| 21428449 | 10.1021/jm101583w | Cytochrome P450 1A2 | 1 |
| 21428449 | 10.1021/jm101583w | Cytochrome P450 3A4 | 1 |
| 21428449 | 10.1021/jm101583w | Cytochrome P450 2C9 | 1 |
| 21428449 | 10.1021/jm101583w | Cytochrome P450 2C19 | 1 |
| 21428449 | 10.1021/jm101583w | Cytochrome P450 2D6 | 1 |
| 21428449 | 10.1021/jm101583w | SH-SY5Y | 1 |
Data from ChEMBL 36 via Core Engine