Compound Detail
CHEMBL217101
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Basic Information
| ChEMBL ID | CHEMBL217101 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | HGDNSOAPZJEIHW-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
375.4
MW (Da)
4.49
ALogP
4
HBA
1
HBD
74.9
PSA (Ų)
0.57
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 5.88
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| FaDu CHEMBL612250 | IC50 | 5.88 | 5.88 | 1319.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| FaDu | IC50 | = | 1319.0 | nM | 5.88 | 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