Compound Detail
CHEMBL264097
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Basic Information
| ChEMBL ID | CHEMBL264097 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | XZBRZMRLJNBGKE-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
426.5
MW (Da)
3.81
ALogP
6
HBA
2
HBD
91.5
PSA (Ų)
0.44
QED
0
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 5.85
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Thymidylate synthase CHEMBL3160 | IC50 | 5.85 | 5.85 | 1420.0 | 1 |
| L1210 CHEMBL386 | IC50 | 5.22 | 5.22 | 6000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Thymidylate synthase | IC50 | = | 1420.0 | nM | 5.85 | Inhibition of thymidylate synthase purified from mouse L1210 leukemia cells that... | 7699716 |
| L1210 | IC50 | = | 6000.0 | nM | 5.22 | Ability to inhibit cell growth was measured on L1210 cells(horse serum) | 7699716 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 7699716 | 10.1021/jm00006a019 | Thymidylate synthase | 1 |
| 7699716 | 10.1021/jm00006a019 | L1210 | 1 |
Data from ChEMBL 36 via Core Engine