Compound Detail
CHEMBL401948
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Basic Information
| ChEMBL ID | CHEMBL401948 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | KGDAMYIYSDSOJF-UHFFFAOYSA-M |
| Parent Compound | CHEMBL270613 |
| Active Moiety | CHEMBL270613 |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
284.8
MW (Da)
1.56
ALogP
4
HBA
2
HBD
63.0
PSA (Ų)
0.66
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 8.05
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Transketolase CHEMBL4983 | EC50 | 8.05 | 8.05 | 9.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Transketolase | EC50 | = | 9.0 | nM | 8.05 | Inhibition of transketolase in human HCT116 cells | 18083562 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 18083562 | 10.1016/j.bmcl.2007.11.100 | Transketolase | 1 |
Data from ChEMBL 36 via Core Engine