Compound Detail
CHEMBL321480
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CCN1/C(=C/C=c2\s/c(=C\c3sc4ccccc4[n+]3CC)sc2=O)Oc2ccccc21.[I-]
Basic Information
| ChEMBL ID | CHEMBL321480 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | IYUZQOUCPNNWCV-MMYGRCCWSA-M |
| Parent Compound | CHEMBL1183861 |
| Active Moiety | CHEMBL1183861 |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
465.6
MW (Da)
4.06
ALogP
6
HBA
0
HBD
33.4
PSA (Ų)
0.43
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 5.47
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| CV-1 CHEMBL613507 | IC50 | 5.47 | 5.47 | 3400.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| CV-1 | IC50 | = | 3400.0 | nM | 5.47 | Inhibitory concentration against growth of monkey normal kidney epithelial cells... | 9379434 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 9379434 | 10.1021/jm9702692 | CX-1 | 1 |
| 9379434 | 10.1021/jm9702692 | CV-1 | 1 |
| 9379434 | 10.1021/jm9702692 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine