Compound Detail
CHEMBL3765519
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CC1(C)CCC[C@@]2(C)C1=C[C@H]1C(=O)[C@H](c3ccc(Cl)c(Cl)c3)[C@H]12
Basic Information
| ChEMBL ID | CHEMBL3765519 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | WSLOPNPQLFAHTK-YOACBEGTSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
349.3
MW (Da)
6.05
ALogP
1
HBA
0
HBD
17.1
PSA (Ų)
0.56
QED
1
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 4.42
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| NON-PROTEIN TARGET CHEMBL3879801 | IC50 | 4.42 | 4.42 | 38000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| NON-PROTEIN TARGET | IC50 | = | 38000.0 | nM | 4.42 | Cytotoxicity against human HCT116 cells assessed as inhibition of cell growth af... | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| - | 10.1039/C5MD00289C | NON-PROTEIN TARGET | 3 |
| - | 10.1039/C5MD00289C | A549 | 1 |
Data from ChEMBL 36 via Core Engine