Compound Detail
CHEMBL32039
TETROXOPRIM 🧪 Phase II
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
🧪 Phase II
Basic Information
| ChEMBL ID | CHEMBL32039 |
| Name | TETROXOPRIM |
| Phase | Phase II |
| Structure Type | MOL |
| InChI Key | WSWJIZXMAUYHOE-UHFFFAOYSA-N |
3
Targets
6
Activities
2
Assay Types
1
PK Parameters
20
Publications
3
Known Names
Molecular Properties
334.4
MW (Da)
1.27
ALogP
8
HBA
2
HBD
114.7
PSA (Ų)
0.69
QED
0
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Chirality | Achiral |
Activity Summary
Ki 5 meas. best 8.35
IC50 1 meas. best 7.75
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Dihydrofolate reductase CHEMBL1809 | Ki | 8.35 | 8.35 | 4.5 | 1 |
| Dihydrofolate reductase CHEMBL4888 | Ki | 8.35 | 8.35 | 4.5 | 1 |
| Dihydrofolate reductase CHEMBL1809 | IC50 | 7.75 | 7.75 | 18.0 | 1 |
| Dihydrofolate reductase CHEMBL2902 | Ki | 6.26 | 6.26 | 549.5 | 1 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| T1/2 | 0.98 | hr | Oryctolagus cuniculus |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Dihydrofolate reductase | Ki | = | 4.467 | nM | 8.35 | Inhibitory activity against Escherichia coli dihydrofolate reductase | 1899453 |
| Dihydrofolate reductase | Ki | = | 4.467 | nM | 8.35 | Inhibition constant against binding of Escherichia coli dihydrofolate reductase | 3290487 |
| Dihydrofolate reductase | IC50 | = | 18.0 | nM | 7.75 | Inhibitory activity against Dihydrofolate reductase of Escherichia coli | 7035668 |
| Dihydrofolate reductase | Ki | = | 549.54 | nM | 6.26 | Inhibitory activity against Lactobacillus casei dihydrofolate reductase | 2502631 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 7035668 | 10.1021/jm00140a005 | Unchecked | 16 |
| 7035668 | 10.1021/jm00140a005 | Dihydrofolate reductase | 10 |
| 7069722 | 10.1021/jm00346a020 | Dihydrofolate reductase | 4 |
| 7035668 | 10.1021/jm00140a005 | Oryctolagus cuniculus | 3 |
| 1899453 | 10.1021/jm00105a008 | Unchecked | 2 |
| 6809941 | 10.1021/jm00349a003 | Dihydrofolate reductase | 2 |
| 2502631 | 10.1021/jm00128a035 | Dihydrofolate reductase | 2 |
| - | 10.6019/CHEMBL4651402 | SARS-CoV-2 | 2 |
| 6699880 | 10.1021/jm00369a019 | Dihydrofolate reductase | 2 |
| 3934385 | 10.1021/jm00150a026 | Escherichia coli | 2 |
| 7017146 | 10.1021/jm00137a012 | Dihydrofolate reductase | 2 |
| 1899453 | 10.1021/jm00105a008 | Dihydrofolate reductase | 2 |
| 7086836 | 10.1021/jm00347a007 | L5178Y | 2 |
| 1899453 | 10.1021/jm00105a008 | No relevant target | 1 |
| 1507206 | 10.1021/jm00095a016 | Dihydrofolate reductase | 1 |
| 3276891 | 10.1021/jm00397a017 | Dihydrofolate reductase | 1 |
| 3701780 | 10.1021/jm00155a006 | No relevant target | 1 |
| 6699880 | 10.1021/jm00369a019 | No relevant target | 1 |
| 3701780 | 10.1021/jm00155a006 | Dihydrofolate reductase | 1 |
| 11495588 | 10.1021/jm000226c | Dihydrofolate reductase | 1 |
Data from ChEMBL 36 via Core Engine