Compound Detail
CHEMBL149353
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 | CHEMBL149353 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | CJQWKDCPNDUIED-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
318.4
MW (Da)
1.91
ALogP
7
HBA
3
HBD
116.5
PSA (Ų)
0.74
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 6.1
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Dihydrofolate reductase CHEMBL1809 | IC50 | 6.1 | 6.1 | 800.0 | 1 |
| Bifunctional dihydrofolate reductase-thymidylate synthase CHEMBL3963 | IC50 | 5.82 | 5.82 | 1500.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Dihydrofolate reductase | IC50 | = | 800.0 | nM | 6.1 | Inhibition against dihydrofolate reductase enzyme of Escherichia coli | 6991695 |
| Bifunctional dihydrofolate reductase-thymidylate synthase | IC50 | = | 1500.0 | nM | 5.82 | Compound was tested for its inhibition against dihydrofolate reductase enzyme of... | 6991695 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 6991695 | 10.1021/jm00179a012 | Dihydrofolate reductase | 1 |
| 6991695 | 10.1021/jm00179a012 | Bifunctional dihydrofolate reductase-thymidylate synthase | 1 |
Data from ChEMBL 36 via Core Engine