Compound Detail
CHEMBL217608
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Basic Information
| ChEMBL ID | CHEMBL217608 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | LVVOXAOMQMRXFR-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
444.9
MW (Da)
5.29
ALogP
5
HBA
1
HBD
69.6
PSA (Ų)
0.44
QED
1
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 7.17
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| FaDu CHEMBL612250 | IC50 | 7.17 | 7.17 | 67.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| FaDu | IC50 | = | 67.0 | nM | 7.17 | Antiproliferative activity against human CEM cells after 72 hrs | 17034133 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 17034133 | 10.1021/jm060546h | FaDu | 1 |
Data from ChEMBL 36 via Core Engine