Compound Detail
CHEMBL266638
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 | CHEMBL266638 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | KAYJWKLTTFBJLE-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
273.5
MW (Da)
2.21
ALogP
4
HBA
2
HBD
77.8
PSA (Ų)
0.77
QED
0
Ro5 Violations
0
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 7.0
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Dihydrofolate reductase CHEMBL2363 | IC50 | 7.0 | 7.0 | 100.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Dihydrofolate reductase | IC50 | = | 100.0 | nM | 7.0 | Inhibitory activity against dihydrofolate reductase of rat liver | 7277385 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 6864738 | 10.1021/jm00361a012 | Dihydrofolate reductase | 1 |
| 7277385 | 10.1021/jm00139a009 | Dihydrofolate reductase | 1 |
| 21134755 | 10.1016/j.bmc.2010.11.004 | Mitogen-activated protein kinase kinase kinase 5 | 1 |
| 1271401 | 10.1021/jm00227a006 | Dihydrofolate reductase | 1 |
Data from ChEMBL 36 via Core Engine