Compound Detail
CHEMBL611093
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Basic Information
| ChEMBL ID | CHEMBL611093 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | XCGLAYPBHOBOFZ-RQYDAXOHSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
321.3
MW (Da)
-0.60
ALogP
9
HBA
4
HBD
125.5
PSA (Ų)
0.59
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 4.14
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| K562 CHEMBL385 | IC50 | 4.14 | 4.14 | 73000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| K562 | IC50 | = | 73000.0 | nM | 4.14 | In vitro inhibitory activity against human myelogenous leukemia K562 cell line | 16033277 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 16033277 | 10.1021/jm048944c | K562 | 2 |
| 16033277 | 10.1021/jm048944c | HT-29 | 1 |
| 16033277 | 10.1021/jm048944c | MCF7 | 1 |
Data from ChEMBL 36 via Core Engine