Compound Detail
CHEMBL1098369
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Basic Information
| ChEMBL ID | CHEMBL1098369 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | CWYZJSXIDDQYEG-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
286.3
MW (Da)
3.26
ALogP
4
HBA
1
HBD
47.9
PSA (Ų)
0.94
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 4.04
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| KB CHEMBL398 | IC50 | 4.04 | 4.04 | 92140.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| KB | IC50 | = | 92140.0 | nM | 4.04 | Cytotoxicity against human KB cells after 3 days by Resazurin Microplate Assay | 20362442 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 20362442 | 10.1016/j.bmcl.2010.03.054 | KB | 1 |
| 20362442 | 10.1016/j.bmcl.2010.03.054 | NCI-H187 | 1 |
Data from ChEMBL 36 via Core Engine