Compound Detail
CHEMBL3350648
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Cc1cn([C@H]2C[C@H](N=[N+]=[N-])[C@@H](COCP(=O)(O)OP(=O)(O)OP(=O)(O)O)O2)c(=O)[nH]c1=O
Basic Information
| ChEMBL ID | CHEMBL3350648 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | WDNVCTYMFHHAOG-DJLDLDEBSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
521.2
MW (Da)
0.20
ALogP
11
HBA
5
HBD
272.7
PSA (Ų)
0.12
QED
2
Ro5 Violations
10
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 5.94
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| MT4 CHEMBL388 | EC50 | 5.94 | 5.94 | 1150.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| MT4 | EC50 | = | 1150.0 | nM | 5.94 | 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 | 2 |
Data from ChEMBL 36 via Core Engine