Compound Detail
CHEMBL536041
Enter ChEMBL ID:
Free Research Context
This compound will appear in recent viewed items on the research home for this browser.
Research home
View demo workspace
Basic Information
| ChEMBL ID | CHEMBL536041 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | KKZVFZTZNGFTMH-UHFFFAOYSA-N |
| Parent Compound | CHEMBL419870 |
| Active Moiety | CHEMBL419870 |
3
Targets
4
Activities
2
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
420.6
MW (Da)
4.56
ALogP
4
HBA
4
HBD
62.1
PSA (Ų)
0.20
QED
0
Ro5 Violations
16
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 5.12
Ki 1 meas. best 7.3
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| L1210 CHEMBL386 | Ki | 7.3 | 7.3 | 50.0 | 1 |
| L1210 CHEMBL386 | IC50 | 5.12 | 5.12 | 7500.0 | 1 |
| NON-PROTEIN TARGET CHEMBL3879801 | IC50 | 4.97 | 4.97 | 10600.0 | 1 |
| CHO-MG CHEMBL614558 | IC50 | 4.48 | 4.48 | 33200.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| L1210 | Ki | = | 50.0 | nM | 7.3 | Inhibitory activity measured against [14C]spermidine uptake in murine L1210 canc... | 15537360 |
| L1210 | IC50 | = | 7500.0 | nM | 5.12 | Inhibitory concentration was measured against murine L1210 cancer cell line | 15537360 |
| NON-PROTEIN TARGET | IC50 | = | 10600.0 | nM | 4.97 | Inhibitory concentration was measured against chinese hamster ovary (CHO) cell l... | 15537360 |
| CHO-MG | IC50 | = | 33200.0 | nM | 4.48 | Inhibitory concentration was measured against chinese hamster ovary (CHO-MG) cel... | 15537360 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 15537360 | 10.1021/jm0497040 | L1210 | 2 |
| 15537360 | 10.1021/jm0497040 | CHO-MG | 2 |
| 15537360 | 10.1021/jm0497040 | NON-PROTEIN TARGET | 1 |
Data from ChEMBL 36 via Core Engine