Compound Detail
CHEMBL423347
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Basic Information
| ChEMBL ID | CHEMBL423347 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ZGADWYWDANNERM-QDEBKDIKSA-N |
1
Targets
3
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
447.0
MW (Da)
1.62
ALogP
4
HBA
4
HBD
94.0
PSA (Ų)
0.24
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 5.33
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| L1210 CHEMBL386 | IC50 | 5.33 | 5.33 | 4698.9 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| L1210 | IC50 | = | 4700.0 | nM | 5.33 | Activity against lymphocytic murine leukemia cell line L1210 using MTS/PES micro... | 11784145 |
| L1210 | IC50 | = | 4698.94 | nM | 5.33 | Cytotoxicity against mouse L1210 cells after 65 hrs by MTS/PES microculture tetr... | 21536434 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 11784145 | 10.1021/jm010252q | No relevant target | 2 |
| 11784145 | 10.1021/jm010252q | L1210 | 1 |
| 14521406 | 10.1021/jm030016a | L1210 | 1 |
| 21536434 | 10.1016/j.bmcl.2011.04.009 | L1210 | 1 |
Data from ChEMBL 36 via Core Engine