Compound Detail
CHEMBL208098
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Basic Information
| ChEMBL ID | CHEMBL208098 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | UGGGRFWZAHTXBI-UHFFFAOYSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
278.3
MW (Da)
4.14
ALogP
3
HBA
3
HBD
60.7
PSA (Ų)
0.66
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 5.46
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| HL-60 CHEMBL383 | IC50 | 5.46 | 5.46 | 3500.0 | 1 |
| Bcr/Abl fusion protein CHEMBL2096618 | IC50 | 5.1 | 5.1 | 8000.0 | 1 |
| ATP-dependent translocase ABCB1 CHEMBL4302 | IC50 | 4.92 | 4.92 | 12000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| HL-60 | IC50 | = | 3500.0 | nM | 5.46 | Antiproliferative activity against human HL60 cell line | 16686543 |
| Bcr/Abl fusion protein | IC50 | = | 8000.0 | nM | 5.1 | Antiproliferative activity against human K562 cell line expressing Bcr-Abl | 16686543 |
| ATP-dependent translocase ABCB1 | IC50 | = | 12000.0 | nM | 4.92 | Antiproliferative activity against MDR human HL60R cell line | 16686543 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 16686543 | 10.1021/jm060253o | HL-60 | 3 |
| 16686543 | 10.1021/jm060253o | ATP-dependent translocase ABCB1 | 2 |
| 16686543 | 10.1021/jm060253o | Bcr/Abl fusion protein | 2 |
Data from ChEMBL 36 via Core Engine