Compound Detail
CHEMBL1201375
TAZAROTENIC ACID Enter ChEMBL ID:
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Basic Information
| ChEMBL ID | CHEMBL1201375 |
| Name | TAZAROTENIC ACID |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | IQIBKLWBVJPOQO-UHFFFAOYSA-N |
3
Targets
3
Activities
2
Assay Types
2
PK Parameters
3
Publications
4
Known Names
Molecular Properties
323.4
MW (Da)
3.95
ALogP
3
HBA
1
HBD
50.2
PSA (Ų)
0.81
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Achiral |
Activity Summary
IC50 2 meas. best 6.85
EC50 1 meas. best 8.22
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | EC50 | 8.22 | 8.22 | 6.0 | 1 |
| Cytochrome P450 3A4 CHEMBL340 | IC50 | 6.85 | 6.85 | 140.0 | 1 |
| Cytochrome P450 26A1 CHEMBL5141 | IC50 | 5.12 | 5.12 | 7600.0 | 1 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| AUC | 38.5 | ng/g.hr | Mus musculus |
| AUC | 314.5 | ng/g.hr | Mus musculus |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | EC50 | = | 6.0 | nM | 8.22 | Induction of glucose-stimulated insulin secretion in rat INS-1 832/13 cells incu... | 33771587 |
| Cytochrome P450 3A4 | IC50 | = | 140.0 | nM | 6.85 | Inhibition Assay: Compounds were assessed for inhibition (IC50, n=2) of CYP2C8, ... | - |
| Cytochrome P450 26A1 | IC50 | = | 7600.0 | nM | 5.12 | Inhibition Assay: Eighteen compounds were tested as potential inhibitors of CYP2... | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 32787092 | 10.1021/acs.jmedchem.0c00868 | ADMET | 4 |
| 32787092 | 10.1021/acs.jmedchem.0c00868 | Mus musculus | 1 |
| 33771587 | 10.1016/j.bmcl.2021.127969 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine