Compound Detail
CHEMBL5820959
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CCN1C(=O)c2c(O)c(=O)c(C(=O)NCc3ccc(F)c(Cl)c3F)cn2[C@H]2CCOC[C@H]21
Basic Information
| ChEMBL ID | CHEMBL5820959 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ITCOOGPTGKKSDW-UONOGXRCSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
467.9
MW (Da)
2.22
ALogP
6
HBA
2
HBD
100.9
PSA (Ų)
0.67
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 5.0
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| POU domain, class 2, transcription factor 2 CHEMBL3509582 | IC50 | 5.0 | 5.0 | 10000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| POU domain, class 2, transcription factor 2 | IC50 | = | 10000.0 | nM | 5.0 | Inhibition Assay: The dose dependent inhibition of OCT2 mediated uptake of a mod... | - |
Data from ChEMBL 36 via Core Engine