Compound Detail
CHEMBL277438
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 | CHEMBL277438 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | OZYVFDXJXOPCJM-UHFFFAOYSA-N |
2
Targets
3
Activities
1
Assay Types
0
PK Parameters
6
Publications
0
Known Names
Molecular Properties
324.2
MW (Da)
3.31
ALogP
6
HBA
3
HBD
103.0
PSA (Ų)
0.68
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 4.29
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Dihydrofolate reductase CHEMBL1926 | IC50 | 4.29 | 4.29 | 50900.0 | 1 |
| Dihydrofolate reductase CHEMBL2363 | IC50 | 4.14 | 4.14 | 71900.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Dihydrofolate reductase | IC50 | = | 50900.0 | nM | 4.29 | Inhibitory activity against dihydrofolate reductase from pneumocystis carinii | 9548816 |
| Dihydrofolate reductase | IC50 | = | 71900.0 | nM | 4.14 | Inhibitory activity against dihydrofolate reductase from rat liver | 9548816 |
| Dihydrofolate reductase | IC50 | = | 71900.0 | nM | 4.14 | Inhibition of rat liver DHFR by spectrophotometric assay | 20117005 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 9548816 | 10.1021/jm970537w | Dihydrofolate reductase | 2 |
| 9548816 | 10.1021/jm970537w | Bifunctional dihydrofolate reductase-thymidylate synthase | 1 |
| 9548816 | 10.1021/jm970537w | Dihydrofolate reductase; P. carinii vs rat | 1 |
| 9548816 | 10.1021/jm970537w | Unchecked | 1 |
| 20117005 | 10.1016/j.bmc.2009.12.066 | Dihydrofolate reductase | 1 |
| 20117005 | 10.1016/j.bmc.2009.12.066 | Bifunctional dihydrofolate reductase-thymidylate synthase | 1 |
Data from ChEMBL 36 via Core Engine