Compound Detail
CHEMBL6823
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 | CHEMBL6823 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | LDCOMPFLZLPPSD-PKNBQFBNSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
6
Publications
0
Known Names
Molecular Properties
312.4
MW (Da)
4.12
ALogP
4
HBA
2
HBD
77.8
PSA (Ų)
0.55
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 5.52
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Dihydrofolate reductase CHEMBL2363 | IC50 | 5.52 | 5.52 | 3019.9 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Dihydrofolate reductase | IC50 | = | 3019.95 | nM | 5.52 | Inhibitory activity against dihydrofolate reductase of rat liver | 7277385 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 6864738 | 10.1021/jm00361a012 | Dihydrofolate reductase | 1 |
| 7392027 | 10.1021/jm00180a004 | Dihydrofolate reductase | 1 |
| 7120278 | 10.1021/jm00350a003 | Dihydrofolate reductase | 1 |
| 7277385 | 10.1021/jm00139a009 | Dihydrofolate reductase | 1 |
| 1271401 | 10.1021/jm00227a006 | Dihydrofolate reductase | 1 |
| 319234 | 10.1021/jm00211a020 | Dihydrofolate reductase | 1 |
Data from ChEMBL 36 via Core Engine