Compound Detail
CHEMBL535603
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Basic Information
| ChEMBL ID | CHEMBL535603 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | WPOOBYUSIRWCNS-UHFFFAOYSA-N |
| Parent Compound | CHEMBL1188199 |
| Active Moiety | CHEMBL1188199 |
2
Targets
3
Activities
2
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
299.5
MW (Da)
3.04
ALogP
3
HBA
3
HBD
50.1
PSA (Ų)
0.56
QED
0
Ro5 Violations
11
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 6.3
Ki 1 meas. best 5.42
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| L1210 CHEMBL386 | IC50 | 6.3 | 6.3 | 500.0 | 1 |
| NON-PROTEIN TARGET CHEMBL3879801 | IC50 | 6.22 | 6.22 | 600.0 | 1 |
| L1210 CHEMBL386 | Ki | 5.42 | 5.42 | 3800.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| L1210 | IC50 | = | 500.0 | nM | 6.3 | Inhibitory concentration was measured against murine L1210 cancer cell line | 15537360 |
| NON-PROTEIN TARGET | IC50 | = | 600.0 | nM | 6.22 | Inhibitory concentration was measured against chinese hamster ovary (CHO) cell l... | 15537360 |
| L1210 | Ki | = | 3800.0 | nM | 5.42 | Inhibitory activity measured against [14C]spermidine uptake in murine L1210 canc... | 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