Compound Detail
CHEMBL44684
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Basic Information
| ChEMBL ID | CHEMBL44684 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | LXVAIRRPWXYFBA-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
526.3
MW (Da)
1.21
ALogP
9
HBA
5
HBD
200.0
PSA (Ų)
0.27
QED
1
Ro5 Violations
12
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 1 meas. best 8.77
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Dihydrofolate reductase CHEMBL2902 | Ki | 8.77 | 8.77 | 1.7 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Dihydrofolate reductase | Ki | = | 1.7 | nM | 8.77 | Inhibition constant of compound against Lactobacillus casei Dihydrofolate reduct... | 6438320 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 6438320 | 10.1021/jm00378a025 | Dihydrofolate reductase | 2 |
Data from ChEMBL 36 via Core Engine