Compound Detail
CHEMBL1643918
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Basic Information
| ChEMBL ID | CHEMBL1643918 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | LBLZVWVKDFMTMA-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
389.4
MW (Da)
2.49
ALogP
9
HBA
3
HBD
133.6
PSA (Ų)
0.44
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 5.0
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| KB CHEMBL398 | IC50 | 5.0 | 5.0 | 10000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| KB | IC50 | = | 10000.0 | nM | 5.0 | Cytotoxicity against human KB cells after 72 hrs by MTS assay | 21146994 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 21146994 | 10.1016/j.bmc.2010.11.035 | KB | 2 |
| 21146994 | 10.1016/j.bmc.2010.11.035 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine