Compound Detail
CHEMBL1828746
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Basic Information
| ChEMBL ID | CHEMBL1828746 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | XSAZHYIAFFWWDQ-SFQUDFHCSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
274.3
MW (Da)
1.81
ALogP
3
HBA
2
HBD
63.3
PSA (Ų)
0.51
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 5.6
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| SK-N-MC CHEMBL614163 | IC50 | 5.6 | 5.6 | 2534.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| SK-N-MC | IC50 | = | 2534.0 | nM | 5.6 | Antiproliferative activity against human SK-N-MC cells after 72 hrs by MTS assay | 21846118 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 21846118 | 10.1021/jm200924c | SK-N-MC | 4 |
| 21846118 | 10.1021/jm200924c | MRC5 | 1 |
Data from ChEMBL 36 via Core Engine