Compound Detail
CHEMBL133141
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Basic Information
| ChEMBL ID | CHEMBL133141 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | NCOXEDIUUIBMLC-UPHRSURJSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
223.7
MW (Da)
1.20
ALogP
5
HBA
1
HBD
69.6
PSA (Ų)
0.63
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 4.66
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| L1210 CHEMBL386 | IC50 | 4.66 | 4.66 | 22000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| L1210 | IC50 | = | 22000.0 | nM | 4.66 | Inhibitory activity against murine leukemia L1210 cells | 1992143 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 1992143 | 10.1021/jm00105a064 | L1210 | 8 |
| 1992143 | 10.1021/jm00105a064 | MC-38 | 1 |
| 1992143 | 10.1021/jm00105a064 | NON-PROTEIN TARGET | 1 |
Data from ChEMBL 36 via Core Engine