Compound Detail
CHEMBL149408
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 | CHEMBL149408 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | WNEVLCULMWGEHD-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
305.3
MW (Da)
0.84
ALogP
8
HBA
3
HBD
131.5
PSA (Ų)
0.74
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 5.0
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Dihydrofolate reductase CHEMBL1809 | IC50 | 5.0 | 5.0 | 10000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Dihydrofolate reductase | IC50 | = | 10000.0 | nM | 5.0 | Inhibition against dihydrofolate reductase enzyme of Escherichia coli | 6991695 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 6991695 | 10.1021/jm00179a012 | Dihydrofolate reductase | 2 |
Data from ChEMBL 36 via Core Engine