Compound Detail
CHEMBL173271
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 | CHEMBL173271 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | JVKOZIXIYHORFY-UHFFFAOYSA-N |
2
Targets
3
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
442.5
MW (Da)
0.91
ALogP
8
HBA
6
HBD
193.6
PSA (Ų)
0.32
QED
1
Ro5 Violations
9
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 8.48
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| L1210 CHEMBL386 | IC50 | 8.48 | 8.48 | 3.3 | 1 |
| Dihydrofolate reductase CHEMBL2902 | IC50 | 7.15 | 7.15 | 71.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| L1210 | IC50 | = | 3.3 | nM | 8.48 | Inhibitory concentration against the growth of L1210 murine leukemia cells in ti... | 4009615 |
| Dihydrofolate reductase | IC50 | = | 71.0 | nM | 7.15 | In vitro inhibitory concentration against beef liver dihydrofolate reductase | 4009615 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 4009615 | 10.1021/jm00145a012 | Folylpolyglutamate synthase, mitochondrial | 3 |
| 4009615 | 10.1021/jm00145a012 | Mus musculus | 2 |
| 4009615 | 10.1021/jm00145a012 | Dihydrofolate reductase | 1 |
| 4009615 | 10.1021/jm00145a012 | Thymidylate synthase | 1 |
| 4009615 | 10.1021/jm00145a012 | L1210 | 1 |
Data from ChEMBL 36 via Core Engine