Compound Detail
CHEMBL2315880
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(C)=CCCC(C)=CCn1cc(CC(P(=O)([O-])[O-])P(=O)([O-])[O-])nn1.[Na+].[Na+].[Na+].[Na+]
Basic Information
| ChEMBL ID | CHEMBL2315880 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | APPIOIDSLGCBAD-UHFFFAOYSA-J |
| Parent Compound | CHEMBL2365387 |
| Active Moiety | CHEMBL2365387 |
2
Targets
5
Activities
1
Assay Types
0
PK Parameters
8
Publications
0
Known Names
Molecular Properties
393.3
MW (Da)
2.19
ALogP
5
HBA
4
HBD
145.8
PSA (Ų)
0.37
QED
0
Ro5 Violations
9
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 5 meas. best 5.66
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Geranylgeranyl pyrophosphate synthase CHEMBL4769 | IC50 | 5.66 | 5.66 | 2200.0 | 1 |
| Farnesyl pyrophosphate synthase CHEMBL1782 | IC50 | 4.08 | 4.08 | 84000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Geranylgeranyl pyrophosphate synthase | IC50 | = | 2200.0 | nM | 5.66 | Inhibition of recombinant GGDPS (unknown origin) assessed as decrease in radiola... | 24726306 |
| Farnesyl pyrophosphate synthase | IC50 | = | 84000.0 | nM | 4.08 | Inhibition of recombinant FDPS (unknown origin) assessed as decrease in radiolab... | 24726306 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 24726306 | 10.1016/j.bmc.2014.03.014 | Geranylgeranyl pyrophosphate synthase | 6 |
| 24726306 | 10.1016/j.bmc.2014.03.014 | Farnesyl pyrophosphate synthase | 2 |
| 29248353 | 10.1016/j.bmc.2017.10.023 | Geranylgeranyl pyrophosphate synthase | 2 |
| 23266123 | 10.1016/j.bmcl.2012.11.089 | RPMI-8226 | 1 |
| 23266123 | 10.1016/j.bmcl.2012.11.089 | Unchecked | 1 |
| 24726306 | 10.1016/j.bmc.2014.03.014 | Protein farnesyltransferase | 1 |
| 24726306 | 10.1016/j.bmc.2014.03.014 | Geranylgeranyl transferase type I | 1 |
| 24726306 | 10.1016/j.bmc.2014.03.014 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine