Compound Detail
CHEMBL253539
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O=c1ccn([C@@H]2O[C@H](COP(=O)(O)O)[C@@H](O)[C@H]2F)c(=O)[nH]1
Basic Information
| ChEMBL ID | CHEMBL253539 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | RTGGYPQTXNSBPD-XVFCMESISA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
326.2
MW (Da)
-1.76
ALogP
7
HBA
4
HBD
151.1
PSA (Ų)
0.48
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 4.96
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| NON-PROTEIN TARGET CHEMBL3879801 | IC50 | 4.96 | 4.96 | 11000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| NON-PROTEIN TARGET | IC50 | = | 11000.0 | nM | 4.96 | In vitro inhibition of UDP-[3H]-GlcNAc import into the lumen of the Golgi membra... | 8709123 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 8709123 | 10.1021/jm960175c | NON-PROTEIN TARGET | 1 |
| 8709123 | 10.1021/jm960175c | Unchecked | 1 |
| 18362071 | 10.1016/j.bmcl.2008.03.016 | Thymidylate synthase | 1 |
Data from ChEMBL 36 via Core Engine