Compound Detail
CHEMBL432987
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 | CHEMBL432987 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | BYXCQNJHVKWSGB-UHFFFAOYSA-N |
2
Targets
3
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
316.4
MW (Da)
1.73
ALogP
6
HBA
3
HBD
107.3
PSA (Ų)
0.72
QED
0
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 7.8
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Dihydrofolate reductase CHEMBL1809 | IC50 | 7.8 | 7.8 | 16.0 | 1 |
| Dihydrofolate reductase CHEMBL3565 | IC50 | 7.35 | 7.35 | 45.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Dihydrofolate reductase | IC50 | = | 16.0 | nM | 7.8 | Inhibitory activity against dihydrofolate reductase (DHFR) from Escherichia coli | 3100802 |
| Dihydrofolate reductase | IC50 | = | 45.0 | nM | 7.35 | Inhibitory activity against dihydrofolate reductase (DHFR) of Neisseria gonorrho... | 3100802 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 3100802 | 10.1021/jm00385a017 | Dihydrofolate reductase | 3 |
Data from ChEMBL 36 via Core Engine