Compound Detail
CHEMBL1229718
Enter ChEMBL ID:
Free Research Context
This compound will appear in recent viewed items on the research home for this browser.
Research home
View demo workspace
Basic Information
| ChEMBL ID | CHEMBL1229718 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | BARLRKAYTDVUIS-UHFFFAOYSA-N |
2
Targets
2
Activities
2
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
178.6
MW (Da)
2.53
ALogP
2
HBA
0
HBD
17.8
PSA (Ų)
0.66
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 5.29
Kd 1 meas. best 6.52
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| ADMET CHEMBL612558 | Kd | 6.52 | 6.52 | 300.0 | 1 |
| Palmitoleoyl-protein carboxylesterase NOTUM CHEMBL3714531 | IC50 | 5.29 | 5.29 | 5160.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| ADMET | Kd | = | 300.0 | nM | 6.52 | Binding affinity to C-terminal His4-tagged CYP2B4 dH/H226Y mutant (unknown origi... | 21502194 |
| Palmitoleoyl-protein carboxylesterase NOTUM | IC50 | = | 5160.0 | nM | 5.29 | Biochemical Notum Enzymatic Activity Assay: An Echo liquid handler was used to a... | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 21502194 | 10.1124/dmd.111.039719 | ADMET | 1 |
| 38318365 | 10.1016/j.isci.2024.108907 | Deoxynucleoside triphosphate triphosphohydrolase SAMHD1 | 1 |
Data from ChEMBL 36 via Core Engine