Compound Detail
CHEMBL402065
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 | CHEMBL402065 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | YCAKNQVIQPUHBT-UHFFFAOYSA-O |
1
Targets
2
Activities
2
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
383.4
MW (Da)
2.25
ALogP
5
HBA
2
HBD
91.4
PSA (Ų)
0.48
QED
0
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 5.51
Kd 1 meas. best 6.85
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Transketolase CHEMBL4983 | Kd | 6.85 | 6.85 | 140.0 | 1 |
| Transketolase CHEMBL4983 | EC50 | 5.51 | 5.51 | 3100.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Transketolase | Kd | = | 140.0 | nM | 6.85 | Inhibition of transketolase by TPPK/apo-TK coupled assay | 18267359 |
| Transketolase | EC50 | = | 3100.0 | nM | 5.51 | Inhibition of human transketolase in HCT116 cells | 18267359 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 18267359 | 10.1016/j.bmcl.2007.11.101 | Transketolase | 2 |
Data from ChEMBL 36 via Core Engine