Compound Detail
CHEMBL394758
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 | CHEMBL394758 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ZOMKQPOHSLVTPF-UHFFFAOYSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
301.6
MW (Da)
0.87
ALogP
3
HBA
4
HBD
128.0
PSA (Ų)
0.48
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 7.02
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Farnesyl pyrophosphate synthase CHEMBL1782 | IC50 | 7.02 | 7.02 | 94.6 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Farnesyl pyrophosphate synthase | IC50 | = | 94.6 | nM | 7.02 | Inhibition of human cloned FPPS expressed in Escherichia col BL2 (DE3) | 17975902 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 17975902 | 10.1021/jm0702884 | Unchecked | 2 |
| 17975902 | 10.1021/jm0702884 | Farnesyl pyrophosphate synthase | 1 |
| 17975902 | 10.1021/jm0702884 | ADMET | 1 |
Data from ChEMBL 36 via Core Engine