Compound Detail
CHEMBL521394
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Basic Information
| ChEMBL ID | CHEMBL521394 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | BBMUNWUDCBRTKC-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
396.4
MW (Da)
3.33
ALogP
8
HBA
2
HBD
103.7
PSA (Ų)
0.65
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 4.07
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| KB CHEMBL398 | IC50 | 4.07 | 4.07 | 84700.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| KB | IC50 | = | 84700.0 | nM | 4.07 | Cytotoxicity against human KB cells after 72 hrs by MTT assay | 21570846 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 2849640 | 10.1021/np50059a014 | KB | 1 |
| 2849640 | 10.1021/np50059a014 | Unchecked | 1 |
| 21570846 | 10.1016/j.bmcl.2011.04.036 | HeLa | 1 |
| 21570846 | 10.1016/j.bmcl.2011.04.036 | KB | 1 |
Data from ChEMBL 36 via Core Engine