Compound Detail
CHEMBL1996879
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Basic Information
| ChEMBL ID | CHEMBL1996879 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | JTROJADUGZRALX-MHWRWJLKSA-N |
2
Targets
4
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
300.4
MW (Da)
2.72
ALogP
4
HBA
2
HBD
58.5
PSA (Ų)
0.52
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 5.38
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| MES-SA/Dx5 CHEMBL613827 | IC50 | 5.38 | 5.38 | 4168.7 | 2 |
| MES-SA CHEMBL614343 | IC50 | 5.33 | 5.33 | 4677.4 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| MES-SA/Dx5 | IC50 | = | 4168.69 | nM | 5.38 | Cytotoxicity against human MES-SA/DX5 cells transfected with mCherry fluorescent... | 27161177 |
| MES-SA/Dx5 | IC50 | = | 4220.0 | nM | 5.38 | Cytotoxicity against human MES-SA/DX5 cells transfected with mCherry fluorescent... | 27161177 |
| MES-SA | IC50 | = | 4677.35 | nM | 5.33 | Cytotoxicity against human MES-SA cells transfected with mCherry fluorescent pro... | 27161177 |
| MES-SA | IC50 | = | 4720.0 | nM | 5.33 | Cytotoxicity against human MES-SA cells transfected with mCherry fluorescent pro... | 27161177 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 27161177 | 10.1016/j.ejmech.2016.03.078 | MES-SA | 2 |
| 27161177 | 10.1016/j.ejmech.2016.03.078 | MES-SA/Dx5 | 2 |
Data from ChEMBL 36 via Core Engine