Compound Detail
CHEMBL394813
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Basic Information
| ChEMBL ID | CHEMBL394813 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | SRQDUEQGHZFXBX-GHRIWEEISA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
315.4
MW (Da)
1.84
ALogP
5
HBA
2
HBD
92.5
PSA (Ų)
0.39
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 6.89
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| SK-N-MC CHEMBL614163 | IC50 | 6.89 | 6.89 | 130.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| SK-N-MC | IC50 | = | 130.0 | nM | 6.89 | Antiproliferative activity against human SK-N-MC cells after 72 hrs by MTT assay | 17602603 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 17602603 | 10.1021/jm070445z | SK-N-MC | 2 |
| 17602603 | 10.1021/jm070445z | No relevant target | 1 |
Data from ChEMBL 36 via Core Engine