Compound Detail
CHEMBL3787643
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Basic Information
| ChEMBL ID | CHEMBL3787643 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | RWEKJWIJKJEVAI-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
320.4
MW (Da)
3.31
ALogP
6
HBA
2
HBD
71.7
PSA (Ų)
0.61
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 7.11
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| A-375 CHEMBL613859 | IC50 | 7.11 | 7.11 | 77.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| A-375 | IC50 | = | 77.0 | nM | 7.11 | Antiproliferative activity against human A375 cells assessed as cell growth inhi... | 27094151 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 27094151 | 10.1016/j.bmc.2016.04.004 | A-375 | 1 |
| 27094151 | 10.1016/j.bmc.2016.04.004 | Tubulin | 1 |
Data from ChEMBL 36 via Core Engine