Compound Detail
CHEMBL406834
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Basic Information
| ChEMBL ID | CHEMBL406834 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | IIBBFGMVMNZMGA-UHFFFAOYSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
7
Publications
0
Known Names
Molecular Properties
268.3
MW (Da)
3.17
ALogP
4
HBA
1
HBD
59.7
PSA (Ų)
0.78
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 4.52
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| CWR22R CHEMBL612657 | IC50 | 4.52 | 4.52 | 30500.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| CWR22R | IC50 | = | 30500.0 | nM | 4.52 | Antiproliferative activity against human 22Rv1 cells incubated up to 144 hrs by ... | 22789812 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 18307286 | 10.1021/jm070352h | Aorta | 5 |
| 22789812 | 10.1016/j.ejmech.2012.06.031 | CWR22R | 5 |
| 23851114 | 10.1016/j.ejmech.2013.06.035 | Broad substrate specificity ATP-binding cassette transporter ABCG2 | 2 |
| 24011954 | 10.1016/j.bmc.2013.08.013 | Casein kinase II | 2 |
| 469554 | 10.1021/np50001a002 | L1210 | 1 |
| 23771043 | 10.1016/j.ejmech.2013.04.064 | HCT-116 | 1 |
| 25278230 | 10.1016/j.bmcl.2014.09.028 | No relevant target | 1 |
Data from ChEMBL 36 via Core Engine