Compound Detail
CHEMBL1760465
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CCCCOC(=O)[C@]1(C)[C@@H]2CC[C@]3(C)[C@H](CC=C4[C@@H]5[C@@H](C)[C@H](C)CC[C@]5(C)CC[C@]43C)[C@@]2(C)CC[C@H]1OC(C)=O
Basic Information
| ChEMBL ID | CHEMBL1760465 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | CPRRKSQCKNAJOU-REEXWHRFSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
554.9
MW (Da)
8.92
ALogP
4
HBA
0
HBD
52.6
PSA (Ų)
0.19
QED
2
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 4.55
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| HL-60 CHEMBL383 | IC50 | 4.55 | 4.55 | 28000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| HL-60 | IC50 | = | 28000.0 | nM | 4.55 | Cytotoxicity against human HL60 cells after 48 hrs by MTT assay | 21334793 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 21334793 | 10.1016/j.ejmech.2011.01.061 | HL-60 | 1 |
| 21334793 | 10.1016/j.ejmech.2011.01.061 | HeLa | 1 |
Data from ChEMBL 36 via Core Engine