Compound Detail
CHEMBL5590484
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CC(C)(C)OC(=O)N1CCC2(CCN(CCCCCN3c4cc(Cl)ccc4Sc4cccnc43)CC2)C1
Basic Information
| ChEMBL ID | CHEMBL5590484 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | BSFNBFBTXLUKFU-UHFFFAOYSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
543.2
MW (Da)
7.23
ALogP
6
HBA
0
HBD
48.9
PSA (Ų)
0.36
QED
2
Ro5 Violations
6
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 4.97
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| KLE CHEMBL2366239 | IC50 | 4.97 | 4.97 | 10740.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| KLE | IC50 | = | 10740.0 | nM | 4.97 | Inhibition of cell proliferation in human KLE cells incubated for 48 hrs by CCK-... | 39082833 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 39082833 | 10.1021/acs.jmedchem.4c00638 | Ishikawa | 1 |
| 39082833 | 10.1021/acs.jmedchem.4c00638 | KLE | 1 |
Data from ChEMBL 36 via Core Engine