Compound Detail
CHEMBL5594604
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O=C1CC2(CCN(Cc3ccccc3)CC2)CC(=O)N1CCCCCN1c2cc(Cl)ccc2Sc2cccnc21
Basic Information
| ChEMBL ID | CHEMBL5594604 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | BFJQVXIUSDWQPM-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
575.2
MW (Da)
6.94
ALogP
6
HBA
0
HBD
56.8
PSA (Ų)
0.21
QED
2
Ro5 Violations
8
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 4.56
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Ishikawa CHEMBL614649 | IC50 | 4.56 | 4.56 | 27520.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Ishikawa | IC50 | = | 27520.0 | nM | 4.56 | Inhibition of cell proliferation in human Ishikawa cells incubated for 48 hrs by... | 39082833 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 39082833 | 10.1021/acs.jmedchem.4c00638 | Ishikawa | 1 |
Data from ChEMBL 36 via Core Engine