Compound Detail
CHEMBL165955
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 | CHEMBL165955 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ZHZUQOGDOGCEEG-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
355.4
MW (Da)
2.43
ALogP
8
HBA
3
HBD
117.5
PSA (Ų)
0.62
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 1 meas. best 6.51
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Dihydrofolate reductase CHEMBL202 | Ki | 6.51 | 6.51 | 310.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Dihydrofolate reductase | Ki | = | 310.0 | nM | 6.51 | Inhibitory activity against Leu22-Phe mutant human Dihydrofolate reductase | 7877140 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 7877140 | 10.1021/jm00005a002 | Dihydrofolate reductase | 5 |
| 7877140 | 10.1021/jm00005a002 | Bifunctional dihydrofolate reductase-thymidylate synthase | 1 |
| 7877140 | 10.1021/jm00005a002 | Dihydrofolate reductase; P. carinii vs rat | 1 |
| 7877140 | 10.1021/jm00005a002 | Dihydrofolate reductase; T. gondii vs rat | 1 |
Data from ChEMBL 36 via Core Engine