Compound Detail
CHEMBL175017
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 | CHEMBL175017 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | BXUKXQCTXHHKOD-UHFFFAOYSA-N |
2
Targets
4
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
441.6
MW (Da)
2.68
ALogP
7
HBA
3
HBD
133.2
PSA (Ų)
0.41
QED
0
Ro5 Violations
10
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 7.12
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Dihydrofolate reductase CHEMBL2329 | IC50 | 7.12 | 6.49 | 75.0 | 3 |
| Dihydrofolate reductase CHEMBL2363 | IC50 | 5.76 | 5.76 | 1724.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Dihydrofolate reductase | IC50 | = | 75.0 | nM | 7.12 | Inhibitory activity against cell free dihydrofolate reductase (DHFR) from Escher... | 14695838 |
| Dihydrofolate reductase | IC50 | = | 581.0 | nM | 6.24 | Inhibitory activity against cell free dihydrofolate reductase (DHFR) from Candid... | 14695838 |
| Dihydrofolate reductase | IC50 | = | 774.0 | nM | 6.11 | Inhibitory activity against cell free dihydrofolate reductase (DHFR) from Mycoba... | 14695838 |
| Dihydrofolate reductase | IC50 | = | 1724.0 | nM | 5.76 | Inhibitory activity against cell free dihydrofolate reductase (DHFR) from rat | 14695838 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 14695838 | 10.1021/jm030931w | Dihydrofolate reductase | 4 |
Data from ChEMBL 36 via Core Engine