Compound Detail
CHEMBL38096
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Basic Information
| ChEMBL ID | CHEMBL38096 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | XJWHEWKEXDFKLI-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
314.6
MW (Da)
2.51
ALogP
4
HBA
4
HBD
48.1
PSA (Ų)
0.28
QED
0
Ro5 Violations
19
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 6.4
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| L1210 CHEMBL386 | IC50 | 6.4 | 6.4 | 400.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| L1210 | IC50 | = | 400.0 | nM | 6.4 | Growth inhibitory activity against L1210 cells (48h) | 9154970 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 9154970 | 10.1021/jm960849j | ADMET | 2 |
| 9154970 | 10.1021/jm960849j | L1210 | 1 |
Data from ChEMBL 36 via Core Engine