Compound Detail
CHEMBL142626
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
CN(Cc1cnc2nc(N)nc(N)c2n1)c1ccc(C(=O)NC(CCCCNC(=O)OCc2ccccc2)C(=O)O)cc1
Basic Information
| ChEMBL ID | CHEMBL142626 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | KWISOMZJDLWXAZ-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
587.6
MW (Da)
2.50
ALogP
11
HBA
5
HBD
211.6
PSA (Ų)
0.14
QED
2
Ro5 Violations
13
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 6.42
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Dihydrofolate reductase CHEMBL2575 | IC50 | 6.42 | 6.42 | 380.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Dihydrofolate reductase | IC50 | = | 380.0 | nM | 6.42 | Evaluated for the inhibition of chicken liver Dihydrofolate reductase by using s... | 7069726 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 6811744 | 10.1021/jm00350a015 | Dihydrofolate reductase | 3 |
| 7069726 | 10.1021/jm00346a026 | Dihydrofolate reductase | 1 |
Data from ChEMBL 36 via Core Engine