Compound Detail
CHEMBL26534
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
CC(=O)NCCCC(NC(=O)c1ccc(N(C=O)Cc2cnc3nc(N)nc(N)c3n2)cc1)C(=O)O
Basic Information
| ChEMBL ID | CHEMBL26534 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | OOUJWMTVVBEFKQ-UHFFFAOYSA-N |
2
Targets
3
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
495.5
MW (Da)
-0.15
ALogP
10
HBA
5
HBD
219.4
PSA (Ų)
0.17
QED
0
Ro5 Violations
11
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 7.28
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Dihydrofolate reductase CHEMBL4564 | IC50 | 7.28 | 7.28 | 53.0 | 1 |
| L1210 CHEMBL386 | IC50 | 6.39 | 6.39 | 410.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Dihydrofolate reductase | IC50 | = | 53.0 | nM | 7.28 | Inhibition of dihydrofolate reductase (DHFR) from murine leukemia cells | 3385730 |
| L1210 | IC50 | = | 410.0 | nM | 6.39 | Inhibitory concentration against growth of L1210 cell line | 3385730 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 3385730 | 10.1021/jm00402a013 | Dihydrofolate reductase | 1 |
| 3385730 | 10.1021/jm00402a013 | Unchecked | 1 |
| 3385730 | 10.1021/jm00402a013 | L1210 | 1 |
| 3385730 | 10.1021/jm00402a013 | L1210 ( R81) | 1 |
Data from ChEMBL 36 via Core Engine