Compound Detail
CHEMBL6666
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 | CHEMBL6666 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | WJHBDAIAIDOONY-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
6
Publications
0
Known Names
Molecular Properties
428.9
MW (Da)
2.81
ALogP
7
HBA
2
HBD
109.5
PSA (Ų)
0.76
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 8.73
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Dihydrofolate reductase CHEMBL1926 | Ki | 8.73 | 8.73 | 1.9 | 1 |
| Dihydrofolate reductase CHEMBL202 | Ki | 7.11 | 7.11 | 77.6 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Dihydrofolate reductase | Ki | = | 1.862 | nM | 8.73 | Inhibition of dihydrofolate reductase (DHFR) from Pneumocystis carinii. | 7699713 |
| Dihydrofolate reductase | Ki | = | 77.62 | nM | 7.11 | Inhibition of human dihydrofolate reductase (DHFR) enzyme | 7699713 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 7699713 | 10.1021/jm00006a016 | Dihydrofolate reductase | 2 |
| 7699713 | 10.1021/jm00006a016 | No relevant target | 1 |
| 7699713 | 10.1021/jm00006a016 | Unchecked | 1 |
| 6864738 | 10.1021/jm00361a012 | Dihydrofolate reductase | 1 |
| 1895302 | 10.1021/jm00113a022 | Dihydrofolate reductase | 1 |
| 7057421 | 10.1021/jm00344a013 | L5178Y | 1 |
Data from ChEMBL 36 via Core Engine