Compound Detail
CHEMBL544940
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Basic Information
| ChEMBL ID | CHEMBL544940 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | RICOWAQUQUCTTO-UHFFFAOYSA-N |
| Parent Compound | CHEMBL1193521 |
| Active Moiety | CHEMBL1193521 |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
269.1
MW (Da)
2.60
ALogP
2
HBA
1
HBD
32.3
PSA (Ų)
0.86
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 7.27
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| L1210 CHEMBL386 | IC50 | 7.27 | 7.27 | 54.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| L1210 | IC50 | = | 54.0 | nM | 7.27 | In vitro cytotoxicity against L1210 murine leukemia cells after 48 hr of continu... | 12031321 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 12031321 | 10.1016/s0960-894x(02)00177-4 | L1210 | 1 |
| 12031321 | 10.1016/s0960-894x(02)00177-4 | Mus musculus | 1 |
Data from ChEMBL 36 via Core Engine