Compound Detail
CHEMBL358003
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
Basic Information
| ChEMBL ID | CHEMBL358003 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | AURBMPJKJCBLSU-UHFFFAOYSA-N |
2
Targets
3
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
266.3
MW (Da)
1.80
ALogP
6
HBA
3
HBD
102.7
PSA (Ų)
0.67
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 6.57
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Dihydrofolate reductase CHEMBL1809 | IC50 | 6.57 | 6.11 | 270.0 | 2 |
| Dihydrofolate reductase CHEMBL2363 | IC50 | 5.64 | 5.64 | 2300.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Dihydrofolate reductase | IC50 | = | 270.0 | nM | 6.57 | Inhibition of dihydrofolate reductase from Toxoplasma gondii. | 14584957 |
| Dihydrofolate reductase | IC50 | = | 2220.0 | nM | 5.65 | Inhibition of dihydrofolate reductase from pneumocystis carinii. | 14584957 |
| Dihydrofolate reductase | IC50 | = | 2300.0 | nM | 5.64 | 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 |
| 14584957 | 10.1021/jm030312n | Pneumocystis carinii | 1 |
| 14584957 | 10.1021/jm030312n | Toxoplasma gondii | 1 |
Data from ChEMBL 36 via Core Engine