Compound Detail
CHEMBL149301
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Basic Information
| ChEMBL ID | CHEMBL149301 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | JPEICZNOYPQPLT-UHFFFAOYSA-N |
2
Targets
3
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
326.4
MW (Da)
1.82
ALogP
8
HBA
3
HBD
121.2
PSA (Ų)
0.65
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 6.48
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Dihydrofolate reductase CHEMBL1809 | IC50 | 6.48 | 6.425 | 330.0 | 2 |
| Dihydrofolate reductase CHEMBL2363 | IC50 | 6.25 | 6.25 | 560.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Dihydrofolate reductase | IC50 | = | 330.0 | nM | 6.48 | Inhibition of dihydrofolate reductase from Toxoplasma gondii. | 14584957 |
| Dihydrofolate reductase | IC50 | = | 430.0 | nM | 6.37 | Inhibition of dihydrofolate reductase from pneumocystis carinii. | 14584957 |
| Dihydrofolate reductase | IC50 | = | 560.0 | nM | 6.25 | Inhibition of dihydrofolate reductase from rat liver. | 14584957 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 14584957 | 10.1021/jm030312n | Dihydrofolate reductase | 3 |
| 14584957 | 10.1021/jm030312n | Unchecked | 2 |
Data from ChEMBL 36 via Core Engine