Compound Detail
CHEMBL431958
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Basic Information
| ChEMBL ID | CHEMBL431958 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | MDIOMHYPZJIKGR-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
296.4
MW (Da)
2.36
ALogP
4
HBA
2
HBD
56.7
PSA (Ų)
0.83
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 6.06
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| L1210 CHEMBL386 | IC50 | 6.06 | 6.06 | 870.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| L1210 | IC50 | = | 870.0 | nM | 6.06 | In vitro growth inhibition of murine leukemia L1210 cells after 40 hours exposur... | 3669016 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 3669016 | 10.1021/jm00394a025 | Nucleic Acid | 2 |
| 3669016 | 10.1021/jm00394a025 | P388 | 2 |
| 3669016 | 10.1021/jm00394a025 | L1210 | 1 |
| 3669016 | 10.1021/jm00394a025 | No relevant target | 1 |
Data from ChEMBL 36 via Core Engine