Compound Detail
CHEMBL1388052
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CCCC[N+]12C3C[C@H](C4[C@H](O)[C@]5(C[C@@H]41)c1ccccc1N(C)[C@@H]35)[C@H](CC)[C@H]2O.[I-]
Basic Information
| ChEMBL ID | CHEMBL1388052 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | CDEBJGBBGVPJSD-AXKYYDBHSA-M |
| Parent Compound | CHEMBL1619052 |
| Active Moiety | CHEMBL1619052 |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
383.6
MW (Da)
2.87
ALogP
3
HBA
2
HBD
43.7
PSA (Ų)
0.79
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 5.28
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Polyadenylate-binding protein 1 CHEMBL1293286 | IC50 | 5.28 | 5.28 | 5270.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Polyadenylate-binding protein 1 | IC50 | = | 5270.0 | nM | 5.28 | PUBCHEM_BIOASSAY: uHTS fluorescence polarization assay for the identification of... | - |
Data from ChEMBL 36 via Core Engine