Compound Detail
CHEMBL355011
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Basic Information
| ChEMBL ID | CHEMBL355011 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | LLPXTZCJCHQBHT-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
333.4
MW (Da)
2.78
ALogP
5
HBA
2
HBD
69.5
PSA (Ų)
0.70
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 4.32
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| L1210 CHEMBL386 | IC50 | 4.32 | 4.32 | 48000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| L1210 | IC50 | = | 48000.0 | nM | 4.32 | Inhibition of murine L1210 cell line tissue culture growth | 8632414 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 8632414 | 10.1021/jm9502652 | Thymidylate synthase | 4 |
| 8632414 | 10.1021/jm9502652 | CCRF-CEM | 2 |
| 8632414 | 10.1021/jm9502652 | GC3/MTK- | 2 |
| 8632414 | 10.1021/jm9502652 | L1210 | 1 |
Data from ChEMBL 36 via Core Engine