Compound Detail
CHEMBL2382326
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 | CHEMBL2382326 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | GPOMGDQKAATFBU-UHFFFAOYSA-N |
4
Targets
5
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
266.3
MW (Da)
1.96
ALogP
6
HBA
2
HBD
94.0
PSA (Ų)
0.74
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 5 meas. best 8.66
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | IC50 | 8.66 | 8.115 | 2.2 | 2 |
| Dihydrofolate reductase CHEMBL202 | IC50 | 7.24 | 7.24 | 57.0 | 1 |
| Dihydrofolate reductase CHEMBL1926 | IC50 | 7.12 | 7.12 | 76.0 | 1 |
| Dihydrofolate reductase CHEMBL2363 | IC50 | 6.92 | 6.92 | 120.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | IC50 | = | 2.2 | nM | 8.66 | Inhibition of Pneumocystis jirovecii recombinant DHFR | 23627352 |
| Unchecked | IC50 | = | 27.0 | nM | 7.57 | Inhibition of Mycobacterium avium DHFR | 23627352 |
| Dihydrofolate reductase | IC50 | = | 57.0 | nM | 7.24 | Inhibition of human recombinant DHFR | 23627352 |
| Dihydrofolate reductase | IC50 | = | 76.0 | nM | 7.12 | Inhibition of Pneumocystis carinii DHFR | 23627352 |
| Dihydrofolate reductase | IC50 | = | 120.0 | nM | 6.92 | Inhibition of rat liver DHFR | 23627352 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 23627352 | 10.1021/jm400086g | Unchecked | 5 |
| 23627352 | 10.1021/jm400086g | Dihydrofolate reductase | 3 |
Data from ChEMBL 36 via Core Engine