Compound Detail
CHEMBL33564
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CN1CCN(CCC(=O)Nc2ccc3c(c2)C(=O)c2ccc(NC(=O)CCN4CCN(C)CC4)cc2C3=O)CC1
Basic Information
| ChEMBL ID | CHEMBL33564 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | GGPVROOIBXBHLG-UHFFFAOYSA-N |
2
Targets
3
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
546.7
MW (Da)
1.61
ALogP
8
HBA
2
HBD
105.3
PSA (Ų)
0.44
QED
1
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 5.77
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| L1210 CHEMBL386 | IC50 | 5.77 | 5.77 | 1700.0 | 1 |
| NON-PROTEIN TARGET CHEMBL3879801 | IC50 | 5.75 | 5.63 | 1800.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| L1210 | IC50 | = | 1700.0 | nM | 5.77 | In vitro extracellular concentration required to reduce cell population to 50% a... | 1573635 |
| NON-PROTEIN TARGET | IC50 | = | 1800.0 | nM | 5.75 | In vitro extracellular concentration required to reduce cell population to 50% a... | 1573635 |
| NON-PROTEIN TARGET | IC50 | = | 3100.0 | nM | 5.51 | In vitro extracellular concentration required to reduce cell population to 50% a... | 1573635 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 1573635 | 10.1021/jm00086a010 | NON-PROTEIN TARGET | 2 |
| 1573635 | 10.1021/jm00086a010 | Nucleic Acid | 2 |
| 1573635 | 10.1021/jm00086a010 | L1210 | 1 |
| 1573635 | 10.1021/jm00086a010 | No relevant target | 1 |
Data from ChEMBL 36 via Core Engine