Compound Detail
CHEMBL1087178
Enter ChEMBL ID:
Free Research Context
This compound will appear in recent viewed items on the research home for this browser.
Research home
View demo workspace
CC1=CCC[C@H]2[C@](C)(CC3=CC(=O)C4=C(SCCS4)C3=O)[C@@H](C)CC[C@]12C
Basic Information
| ChEMBL ID | CHEMBL1087178 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | UHSCATIFNPEFRO-KJSBAXDASA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
19
Publications
0
Known Names
Molecular Properties
402.6
MW (Da)
5.95
ALogP
4
HBA
0
HBD
34.1
PSA (Ų)
0.42
QED
1
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 4.12
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| NON-PROTEIN TARGET CHEMBL3879801 | IC50 | 4.12 | 4.12 | 75000.0 | 1 |
| K562 CHEMBL385 | IC50 | 4.04 | 4.04 | 91000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| NON-PROTEIN TARGET | IC50 | = | 75000.0 | nM | 4.12 | Cytotoxicity against human Fem-X cells assessed as decrease in total cellular pr... | 19995673 |
| K562 | IC50 | = | 91000.0 | nM | 4.04 | Cytotoxicity against human K562 cells by MTT assay | 19995673 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 19995673 | 10.1016/j.ejmech.2009.11.033 | NON-PROTEIN TARGET | 4 |
| 19995673 | 10.1016/j.ejmech.2009.11.033 | K562 | 2 |
| 19995673 | 10.1016/j.ejmech.2009.11.033 | PBMC | 2 |
| 19995673 | 10.1016/j.ejmech.2009.11.033 | LOX IMVI | 1 |
| 19995673 | 10.1016/j.ejmech.2009.11.033 | Artemia salina | 1 |
| 19995673 | 10.1016/j.ejmech.2009.11.033 | Escherichia coli | 1 |
| 19995673 | 10.1016/j.ejmech.2009.11.033 | Staphylococcus aureus | 1 |
| 19995673 | 10.1016/j.ejmech.2009.11.033 | T47D | 1 |
| 19995673 | 10.1016/j.ejmech.2009.11.033 | MDA-MB-435 | 1 |
| 19995673 | 10.1016/j.ejmech.2009.11.033 | MCF7 | 1 |
| 19995673 | 10.1016/j.ejmech.2009.11.033 | RXF 393 | 1 |
| 19995673 | 10.1016/j.ejmech.2009.11.033 | IGROV-1 | 1 |
| 19995673 | 10.1016/j.ejmech.2009.11.033 | SK-MEL-2 | 1 |
| 19995673 | 10.1016/j.ejmech.2009.11.033 | NCI-H23 | 1 |
| 19995673 | 10.1016/j.ejmech.2009.11.033 | HOP-92 | 1 |
| 19995673 | 10.1016/j.ejmech.2009.11.033 | RPMI-8226 | 1 |
| 19995673 | 10.1016/j.ejmech.2009.11.033 | MOLT-4 | 1 |
| 19995673 | 10.1016/j.ejmech.2009.11.033 | CCRF-CEM | 1 |
| 19995673 | 10.1016/j.ejmech.2009.11.033 | HeLa | 1 |
Data from ChEMBL 36 via Core Engine