Compound Detail
CHEMBL431135
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Basic Information
| ChEMBL ID | CHEMBL431135 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | CMZQDIOWIOFCOW-GPLMESCTSA-N |
2
Targets
3
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
381.5
MW (Da)
5.13
ALogP
5
HBA
0
HBD
57.0
PSA (Ų)
0.39
QED
1
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 8.7
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | IC50 | 8.7 | 8.7 | 2.0 | 2 |
| Cricetinae gen. sp. CHEMBL612361 | IC50 | 6.17 | 6.17 | 680.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | IC50 | = | 2.0 | nM | 8.7 | Inhibition of ATRA hydroxylase in Syrian golden hamster liver microsome assessed... | 15615521 |
| Unchecked | IC50 | = | 2.0 | nM | 8.7 | Inhibition of CYP26 in hamster liver microsomes assessed as [11,12-[3H]ATRA meta... | 22130607 |
| Cricetinae gen. sp. | IC50 | = | 680.0 | nM | 6.17 | The compound was tested for the inhibition of all-trans retinoic acid (ATRA) cat... | 10987414 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 15615521 | 10.1021/jm0401457 | Cytochrome P450 26A1 | 3 |
| 15615521 | 10.1021/jm0401457 | Unchecked | 2 |
| 10987414 | 10.1016/s0960-894x(00)00391-7 | Cricetinae gen. sp. | 1 |
| 22130607 | 10.1016/j.ejmech.2011.11.010 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine