Compound Detail
CHEMBL150441
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COC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)c1ncn2c(=O)n(CCCl)nnc12)C(C)C
Basic Information
| ChEMBL ID | CHEMBL150441 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | CHDGYPFOWOABED-UWVGGRQHSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
427.9
MW (Da)
-1.04
ALogP
10
HBA
2
HBD
149.6
PSA (Ų)
0.40
QED
0
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 5.16
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| NON-PROTEIN TARGET CHEMBL3879801 | IC50 | 5.16 | 5.16 | 6900.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| NON-PROTEIN TARGET | IC50 | = | 6900.0 | nM | 5.16 | In vitro cytotoxicity against mouse TLX5 lymphoma cells | 12459014 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 12459014 | 10.1021/jm020936d | NON-PROTEIN TARGET | 1 |
Data from ChEMBL 36 via Core Engine