Compound Detail
CHEMBL2326230
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
Basic Information
| ChEMBL ID | CHEMBL2326230 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | HLYHZDQQZONDKK-UHFFFAOYSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
7
Publications
0
Known Names
Molecular Properties
334.3
MW (Da)
2.76
ALogP
3
HBA
4
HBD
115.1
PSA (Ų)
0.34
QED
0
Ro5 Violations
11
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 7.62
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Farnesyl diphosphate synthase CHEMBL5831 | IC50 | 7.62 | 7.62 | 24.0 | 1 |
| Unchecked CHEMBL612545 | IC50 | 7.62 | 7.62 | 24.0 | 1 |
| Farnesyl diphosphate synthase CHEMBL4752 | IC50 | 5.2 | 5.2 | 6386.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Farnesyl diphosphate synthase | IC50 | = | 24.0 | nM | 7.62 | Inhibition of Toxoplasma gondii farnesyl diphosphate synthase assessed as incorp... | 23318904 |
| Unchecked | IC50 | = | 24.0 | nM | 7.62 | Inhibition of Toxoplasma gondii FPPS incubated for 30 mins by scintillation coun... | 34894691 |
| Farnesyl diphosphate synthase | IC50 | = | 6386.0 | nM | 5.2 | Inhibition of Trypanosoma cruzi farnesyl diphosphate synthase assessed as incorp... | 23318904 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 23318904 | 10.1016/j.ejmech.2012.12.015 | Farnesyl diphosphate synthase | 2 |
| 23318904 | 10.1016/j.ejmech.2012.12.015 | Vero | 1 |
| 23318904 | 10.1016/j.ejmech.2012.12.015 | ADMET | 1 |
| 23318904 | 10.1016/j.ejmech.2012.12.015 | Trypanosoma cruzi | 1 |
| 23318904 | 10.1016/j.ejmech.2012.12.015 | Toxoplasma gondii | 1 |
| 34894691 | 10.1021/acs.jmedchem.1c01569 | Unchecked | 1 |
| 34894691 | 10.1021/acs.jmedchem.1c01569 | ADMET | 1 |
Data from ChEMBL 36 via Core Engine