Compound Detail
CHEMBL3347608
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COC(=O)C[C@@]1(C(=O)O[C@@H]2C(OC)=C[C@]34CCCN3CCc3cc5c(cc3[C@H]24)OCO5)CCC(C)(C)O1
Basic Information
| ChEMBL ID | CHEMBL3347608 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | CKBBXOLKVXFLSX-KSZYUSJVSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
513.6
MW (Da)
3.24
ALogP
9
HBA
0
HBD
92.8
PSA (Ų)
0.55
QED
1
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 4.64
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| NON-PROTEIN TARGET CHEMBL3879801 | IC50 | 4.64 | 4.64 | 22700.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| NON-PROTEIN TARGET | IC50 | = | 22700.0 | nM | 4.64 | Cytotoxicity against human HL60 cells assessed as growth inhibition after 72 hrs... | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| - | 10.1039/C0MD00241K | HL-60 | 1 |
| - | 10.1039/C0MD00241K | NON-PROTEIN TARGET | 1 |
Data from ChEMBL 36 via Core Engine