Compound Detail
CHEMBL1831083
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Basic Information
| ChEMBL ID | CHEMBL1831083 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | GJYCFJGZPVJOKR-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
7
Publications
0
Known Names
Molecular Properties
413.5
MW (Da)
5.96
ALogP
5
HBA
1
HBD
56.1
PSA (Ų)
0.38
QED
1
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 9.46
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Cytochrome P450 26A1 CHEMBL5141 | IC50 | 9.46 | 9.46 | 0.3 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Cytochrome P450 26A1 | IC50 | = | 0.35 | nM | 9.46 | Inhibition of human CYP26A1 assessed using [11,12-3H]ATRA as substrate by scinti... | 21838328 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 21838328 | 10.1021/jm200695m | Cytochrome P450 26A1 | 1 |
| 21838328 | 10.1021/jm200695m | SH-SY5Y | 1 |
| 21838328 | 10.1021/jm200695m | Cytochrome P450 1A2 | 1 |
| 21838328 | 10.1021/jm200695m | Cytochrome P450 3A4 | 1 |
| 21838328 | 10.1021/jm200695m | Cytochrome P450 2C9 | 1 |
| 21838328 | 10.1021/jm200695m | Cytochrome P450 2C19 | 1 |
| 21838328 | 10.1021/jm200695m | Cytochrome P450 2D6 | 1 |
Data from ChEMBL 36 via Core Engine