Compound Detail
CHEMBL342265
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C=C1CCC[C@]2(C)C[C@H]3OC(=O)[C@@H](CNCCCN(C)C)[C@H]3C[C@@H]12
Basic Information
| ChEMBL ID | CHEMBL342265 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | GMGKRANGHXUORD-ZMIKWESLSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
334.5
MW (Da)
2.84
ALogP
4
HBA
1
HBD
41.6
PSA (Ų)
0.46
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 5.22
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| K562 CHEMBL385 | IC50 | 5.22 | 5.22 | 6000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| K562 | IC50 | = | 6000.0 | nM | 5.22 | In vitro inhibitory activity against K562 human leukemia cell line | 11212128 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 11212128 | 10.1016/s0960-894x(00)00686-7 | K562 | 1 |
Data from ChEMBL 36 via Core Engine