Compound Detail
CHEMBL3138459
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
CC(=O)OCCCC(C)C1CCC2C3C(OC(C)=O)CC4CC(NC(=O)CCNC(=O)CCNC(=O)CCNC(=O)CCNC(=O)OC(C)(C)C)CCC4(C)C3CC(O)C12C
Basic Information
| ChEMBL ID | CHEMBL3138459 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | FPKLYRASRFAZLW-UHFFFAOYSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
9
Publications
0
Known Names
Molecular Properties
862.1
MW (Da)
4.06
ALogP
11
HBA
6
HBD
227.6
PSA (Ų)
0.06
QED
3
Ro5 Violations
19
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 4.1
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| HEK293 CHEMBL614818 | IC50 | 4.1 | 4.1 | 80000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| HEK293 | IC50 | = | 80000.0 | nM | 4.1 | Antiproliferative activity against HEK293 cells by MTT assay | 18805690 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 18805690 | 10.1016/j.bmcl.2008.09.013 | Candida albicans | 2 |
| 18805690 | 10.1016/j.bmcl.2008.09.013 | Escherichia coli | 2 |
| 18805690 | 10.1016/j.bmcl.2008.09.013 | MCF7 | 2 |
| 18805690 | 10.1016/j.bmcl.2008.09.013 | HEK293 | 2 |
| 18805690 | 10.1016/j.bmcl.2008.09.013 | Cryptococcus neoformans | 1 |
| 18805690 | 10.1016/j.bmcl.2008.09.013 | Benjaminiella poitrasii | 1 |
| 18805690 | 10.1016/j.bmcl.2008.09.013 | Yarrowia lipolytica | 1 |
| 18805690 | 10.1016/j.bmcl.2008.09.013 | Fusarium oxysporum | 1 |
| 18805690 | 10.1016/j.bmcl.2008.09.013 | Staphylococcus aureus | 1 |
Data from ChEMBL 36 via Core Engine