Compound Detail
CHEMBL1187148
THALIDENDINE Enter ChEMBL ID:
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Basic Information
| ChEMBL ID | CHEMBL1187148 |
| Name | THALIDENDINE |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | OEGWOBMNQDATKP-UHFFFAOYSA-O |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
322.3
MW (Da)
2.79
ALogP
4
HBA
1
HBD
51.8
PSA (Ų)
0.70
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 5.39
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Cytochrome P450 1B1 CHEMBL4878 | IC50 | 5.39 | 5.39 | 4100.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Cytochrome P450 1B1 | IC50 | = | 4100.0 | nM | 5.39 | Inhibition of human CYP1B1 expressed in Escherichia coli DH5alpha coexpressing h... | 28458135 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| - | 10.1007/s00044-011-9767-1 | Entamoeba histolytica | 1 |
| 28458135 | 10.1016/j.ejmech.2017.04.042 | Cytochrome P450 1B1 | 1 |
Data from ChEMBL 36 via Core Engine