Compound Detail
CHEMBL2171377
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Basic Information
| ChEMBL ID | CHEMBL2171377 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | HERGGBQMTRQUGC-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
322.3
MW (Da)
3.01
ALogP
6
HBA
0
HBD
86.7
PSA (Ų)
0.54
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 5.08
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| HaCaT CHEMBL614392 | IC50 | 5.08 | 5.08 | 8230.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| HaCaT | IC50 | = | 8230.0 | nM | 5.08 | Antihyperproliferative activity against human HaCaT cells after 48 hrs by phase ... | 22845014 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 22845014 | 10.1021/jm3009597 | HaCaT | 2 |
Data from ChEMBL 36 via Core Engine