Compound Detail
CHEMBL3350646
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Cc1cn([C@H]2C[C@H](F)[C@@H](COCP(=O)(O)OP(=O)(O)OP(=O)(O)O)O2)c(=O)[nH]c1=O
Basic Information
| ChEMBL ID | CHEMBL3350646 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ZYJUSNQMBUQVGJ-DJLDLDEBSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
498.2
MW (Da)
-0.14
ALogP
10
HBA
5
HBD
223.9
PSA (Ų)
0.28
QED
0
Ro5 Violations
9
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 2 meas. best 4.45
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| MT4 CHEMBL388 | EC50 | 4.45 | 4.225 | 35600.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| MT4 | EC50 | = | 35600.0 | nM | 4.45 | Effective concentration achieving 50% protection of MT-4 cells against the cytop... | 1697345 |
| MT4 | EC50 | = | 100000.0 | nM | 4.0 | Effective concentration achieving 50% protection of MT-4 cells against the cytop... | 1697345 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 1697345 | 10.1021/jm00171a023 | MT4 | 4 |
| 1697345 | 10.1021/jm00171a023 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine