Compound Detail
CHEMBL287436
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Basic Information
| ChEMBL ID | CHEMBL287436 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | UBHJNKHORVDJFH-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
366.4
MW (Da)
1.55
ALogP
7
HBA
3
HBD
132.3
PSA (Ų)
0.74
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 7.05
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Dihydrofolate reductase CHEMBL2575 | Ki | 7.05 | 7.05 | 89.1 | 1 |
| Dihydrofolate reductase CHEMBL2902 | Ki | 5.9 | 5.9 | 1258.9 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Dihydrofolate reductase | Ki | = | 89.13 | nM | 7.05 | Inhibitory activity against isolated chicken liver dihydrofolate reductase (DHFR... | 6420569 |
| Dihydrofolate reductase | Ki | = | 1258.93 | nM | 5.9 | Inhibitory activity against Lactobacillus casei dihydrofolate reductase (DHFR) | 6420569 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 6699880 | 10.1021/jm00369a019 | Dihydrofolate reductase | 2 |
| 6420569 | 10.1021/jm00368a006 | Dihydrofolate reductase | 2 |
Data from ChEMBL 36 via Core Engine