Compound Detail
CHEMBL351766
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
CCCCCCCCCCCCCCCCOC(=O)CCC(NC(=O)c1ccc(N(C)Cc2cnc3nc(N)nc(N)c3n2)cc1)C(=O)O
Basic Information
| ChEMBL ID | CHEMBL351766 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | XDUJULXISLBYOW-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
678.9
MW (Da)
6.21
ALogP
11
HBA
4
HBD
199.5
PSA (Ų)
0.06
QED
3
Ro5 Violations
24
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 7.43
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Dihydrofolate reductase CHEMBL1075051 | IC50 | 7.43 | 7.43 | 37.0 | 1 |
| CCRF-CEM CHEMBL382 | IC50 | 6.96 | 6.96 | 110.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Dihydrofolate reductase | IC50 | = | 37.0 | nM | 7.43 | In vitro ability to inhibit the Dihydrofolate reductase extracted from beef live... | 6585550 |
| CCRF-CEM | IC50 | = | 110.0 | nM | 6.96 | In vitro cytotoxicity by its growth inhibitory activity against human leukemic l... | 6585550 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 6585550 | 10.1021/jm00371a009 | Unchecked | 16 |
| 6585550 | 10.1021/jm00371a009 | Dihydrofolate reductase | 1 |
| 6585550 | 10.1021/jm00371a009 | CCRF-CEM | 1 |
Data from ChEMBL 36 via Core Engine