Compound Detail
CHEMBL1814082
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 | CHEMBL1814082 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | OXJZJAMMQBYOSE-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
253.3
MW (Da)
2.50
ALogP
3
HBA
1
HBD
57.6
PSA (Ų)
0.79
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 4.21
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Thymidylate synthase CHEMBL1795144 | Ki | 4.21 | 4.21 | 61000.0 | 1 |
| Thymidylate synthase CHEMBL5328 | Ki | 4.03 | 4.03 | 93000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Thymidylate synthase | Ki | = | 61000.0 | nM | 4.21 | Inhibition of Enterococcus faecalis thymidylate synthase using N5,N10-methylene ... | 21696158 |
| Thymidylate synthase | Ki | = | 93000.0 | nM | 4.03 | Inhibition of Lactobacillus casei thymidylate synthase using N5,N10-methylene te... | 21696158 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 21696158 | 10.1021/jm2005018 | Thymidylate synthase | 3 |
| 21696158 | 10.1021/jm2005018 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine