Compound Detail
CHEMBL542800
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Basic Information
| ChEMBL ID | CHEMBL542800 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | BEFACZAIRINRMO-UHFFFAOYSA-N |
| Parent Compound | CHEMBL1191669 |
| Active Moiety | CHEMBL1191669 |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
8
Publications
0
Known Names
Molecular Properties
464.3
MW (Da)
1.52
ALogP
6
HBA
5
HBD
147.0
PSA (Ų)
0.23
QED
0
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 5.89
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| L1210 CHEMBL386 | IC50 | 5.89 | 5.89 | 1300.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| L1210 | IC50 | = | 1300.0 | nM | 5.89 | In vitro test for cytotoxicity against L1210 murine leukemia cells | 15115402 |
| L1210 | IC50 | = | 1300.0 | nM | 5.89 | In vitro cytotoxicity against L1210 murine leukemia cells after 48 hr of continu... | 12031321 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 15115402 | 10.1021/jm031051k | L1210 | 2 |
| 10866397 | 10.1016/s0960-894x(00)00204-3 | Mus musculus | 2 |
| 15115402 | 10.1021/jm031051k | Mus musculus | 1 |
| 15115402 | 10.1021/jm031051k | Caco-2 | 1 |
| 12031321 | 10.1016/s0960-894x(02)00177-4 | L1210 | 1 |
| 12031321 | 10.1016/s0960-894x(02)00177-4 | Mus musculus | 1 |
| 12031321 | 10.1016/s0960-894x(02)00177-4 | Caco-2 | 1 |
| 10866397 | 10.1016/s0960-894x(00)00204-3 | L1210 | 1 |
Data from ChEMBL 36 via Core Engine