Compound Detail
CHEMBL448838
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Basic Information
| ChEMBL ID | CHEMBL448838 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | JCHGHRDQLMPPJN-FIFLTTCUSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
430.2
MW (Da)
6.16
ALogP
3
HBA
0
HBD
17.1
PSA (Ų)
0.52
QED
1
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 5.05
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| NON-PROTEIN TARGET CHEMBL3879801 | IC50 | 5.05 | 5.05 | 9000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| NON-PROTEIN TARGET | IC50 | = | 9000.0 | nM | 5.05 | Cytotoxicity against human LS 174T cells after 72 hrs by MTT assay | 19243951 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 19243951 | 10.1016/j.bmc.2008.10.044 | NON-PROTEIN TARGET | 1 |
| 19243951 | 10.1016/j.bmc.2008.10.044 | No relevant target | 1 |
Data from ChEMBL 36 via Core Engine