Compound Detail
CHEMBL80061
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 | CHEMBL80061 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | BLBGRHKRQIFQMT-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
301.4
MW (Da)
1.21
ALogP
7
HBA
5
HBD
141.9
PSA (Ų)
0.40
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 5.89
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Dihydrofolate reductase CHEMBL2363 | IC50 | 5.89 | 5.89 | 1300.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Dihydrofolate reductase | IC50 | = | 1300.0 | nM | 5.89 | In vitro inhibitory concentration against rat liver dihydrofolate reductase | 2810335 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 2810335 | 10.1021/jm00131a009 | Dihydrofolate reductase | 1 |
Data from ChEMBL 36 via Core Engine