Compound Detail
CHEMBL434236
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Basic Information
| ChEMBL ID | CHEMBL434236 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | UHDVYQSRZWKNOD-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
327.4
MW (Da)
5.21
ALogP
1
HBA
0
HBD
7.1
PSA (Ų)
0.59
QED
1
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 7.29
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| CAKI-1 CHEMBL614067 | IC50 | 7.29 | 7.29 | 51.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| CAKI-1 | IC50 | = | 51.0 | nM | 7.29 | Tested for the inhibition of extraneuronal [3H]norepinephrine uptake in Caki-1 c... | 8277503 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 8277503 | 10.1021/jm00078a010 | No relevant target | 1 |
| 8277503 | 10.1021/jm00078a010 | CAKI-1 | 1 |
Data from ChEMBL 36 via Core Engine