Compound Detail
CHEMBL293299
ADITOPRIM 🧪 Phase II
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🧪 Phase II
Basic Information
| ChEMBL ID | CHEMBL293299 |
| Name | ADITOPRIM |
| Phase | Phase II |
| Structure Type | MOL |
| InChI Key | QBQMXWZTRRWPGK-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
6
Publications
3
Known Names
Molecular Properties
303.4
MW (Da)
1.32
ALogP
7
HBA
2
HBD
99.5
PSA (Ų)
0.86
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Chirality | Achiral |
Activity Summary
Ki 2 meas. best 6.45
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Dihydrofolate reductase CHEMBL2902 | Ki | 6.45 | 6.45 | 354.8 | 1 |
| Dihydrofolate reductase CHEMBL2575 | Ki | 4.15 | 4.15 | 70794.6 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Dihydrofolate reductase | Ki | = | 354.81 | nM | 6.45 | Inhibitory activity against Lactobacillus casei dihydrofolate reductase | 2502631 |
| Dihydrofolate reductase | Ki | = | 70794.58 | nM | 4.15 | Inhibitory activity against chicken liver dihydrofolate reductase | 2502631 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 2502631 | 10.1021/jm00128a035 | Dihydrofolate reductase | 2 |
| 11495588 | 10.1021/jm000226c | Dihydrofolate reductase | 1 |
| 3701780 | 10.1021/jm00155a006 | Dihydrofolate reductase | 1 |
| 3701780 | 10.1021/jm00155a006 | No relevant target | 1 |
| 1507206 | 10.1021/jm00095a016 | Dihydrofolate reductase | 1 |
| 2502631 | 10.1021/jm00128a035 | No relevant target | 1 |
Data from ChEMBL 36 via Core Engine