Compound Detail
CHEMBL3142424
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CC(N=[N+]=[N-])c1cn([C@H]2C[C@H](O)[C@@H](CO)O2)c(=O)[nH]c1=O
Basic Information
| ChEMBL ID | CHEMBL3142424 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | GBBGDMVMYMANIO-BLYALZSPSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
297.3
MW (Da)
-0.45
ALogP
7
HBA
3
HBD
153.3
PSA (Ų)
0.39
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 4.09
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Homo sapiens CHEMBL372 | IC50 | 4.09 | 4.09 | 81000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Homo sapiens | IC50 | = | 81000.0 | nM | 4.09 | Concentration of the drug required to reduce the proliferation of human foreskin... | 8394933 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 8394933 | 10.1021/jm00069a004 | Homo sapiens | 6 |
| 8394933 | 10.1021/jm00069a004 | Raji | 1 |
Data from ChEMBL 36 via Core Engine