Compound Detail
CHEMBL1950181
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Basic Information
| ChEMBL ID | CHEMBL1950181 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | MEFDUIXKJSVFJJ-FNORWQNLSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
238.4
MW (Da)
3.45
ALogP
3
HBA
0
HBD
23.1
PSA (Ų)
0.37
QED
0
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 4.62
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| NON-PROTEIN TARGET CHEMBL3879801 | IC50 | 4.62 | 4.62 | 24000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| NON-PROTEIN TARGET | IC50 | = | 24000.0 | nM | 4.62 | Antiproliferative activity against human WHCO1 cells after 48 hrs by MTT assay | 22381354 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 22381354 | 10.1016/j.ejmech.2012.01.058 | NON-PROTEIN TARGET | 1 |
Data from ChEMBL 36 via Core Engine