Compound Detail
CHEMBL252862
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Basic Information
| ChEMBL ID | CHEMBL252862 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | SLLCQEPKLKMZKP-ZDUSSCGKSA-N |
3
Targets
4
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
270.3
MW (Da)
3.73
ALogP
3
HBA
1
HBD
38.7
PSA (Ų)
0.84
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 4.27
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| NON-PROTEIN TARGET CHEMBL3879801 | IC50 | 4.27 | 4.245 | 53800.0 | 2 |
| HeLa CHEMBL399 | IC50 | 4.22 | 4.22 | 60100.0 | 1 |
| A549 CHEMBL392 | IC50 | 4.13 | 4.13 | 73700.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| NON-PROTEIN TARGET | IC50 | = | 53800.0 | nM | 4.27 | Cytotoxicity against mouse B16-BL6 cells after 72 hrs by MTT assay | 18440233 |
| HeLa | IC50 | = | 60100.0 | nM | 4.22 | Cytotoxicity against human HeLa cells after 72 hrs by MTT assay | 18440233 |
| NON-PROTEIN TARGET | IC50 | = | 60300.0 | nM | 4.22 | Cytotoxicity against mouse colon 26-L5 cells after 72 hrs by MTT assay | 18440233 |
| A549 | IC50 | = | 73700.0 | nM | 4.13 | Cytotoxicity against human A549 cells after 72 hrs by MTT assay | 18440233 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 18440233 | 10.1016/j.bmc.2008.04.016 | NON-PROTEIN TARGET | 3 |
| 17950610 | 10.1016/j.bmc.2007.10.004 | PANC-1 | 1 |
| 18440233 | 10.1016/j.bmc.2008.04.016 | A549 | 1 |
| 18440233 | 10.1016/j.bmc.2008.04.016 | HeLa | 1 |
| 18440233 | 10.1016/j.bmc.2008.04.016 | HT-1080 | 1 |
Data from ChEMBL 36 via Core Engine