Compound Detail
CHEMBL158394
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Basic Information
| ChEMBL ID | CHEMBL158394 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | XNPDBHPDWFZJDS-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
321.4
MW (Da)
3.46
ALogP
3
HBA
1
HBD
45.2
PSA (Ų)
0.56
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 6.8
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| L1210 CHEMBL386 | IC50 | 6.8 | 6.8 | 160.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| L1210 | IC50 | = | 160.0 | nM | 6.8 | Inhibition of L1210 cell growth by 50% | 11831901 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 11831901 | 10.1021/jm000473g | Nucleic Acid | 2 |
| 11831901 | 10.1021/jm000473g | Mus musculus | 2 |
| 11831901 | 10.1021/jm000473g | No relevant target | 1 |
| 11831901 | 10.1021/jm000473g | L1210 | 1 |
Data from ChEMBL 36 via Core Engine