Compound Detail
CHEMBL114428
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Basic Information
| ChEMBL ID | CHEMBL114428 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | BPZYCLNHYSVYML-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
327.3
MW (Da)
4.73
ALogP
3
HBA
0
HBD
60.2
PSA (Ų)
0.39
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 5.52
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| K562 CHEMBL385 | IC50 | 5.52 | 5.52 | 3000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| K562 | IC50 | = | 3000.0 | nM | 5.52 | In vitro inhibitory concentration against human chronic myelogenous leukemia K56... | 12852768 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 12852768 | 10.1021/jm0307685 | K562 | 1 |
| 12852768 | 10.1021/jm0307685 | Sus scrofa | 1 |
Data from ChEMBL 36 via Core Engine