Compound Detail
CHEMBL3299049
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Basic Information
| ChEMBL ID | CHEMBL3299049 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | XBDBJEYXXYREEM-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
334.3
MW (Da)
3.39
ALogP
4
HBA
2
HBD
83.3
PSA (Ų)
0.71
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 4.58
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Farnesyl pyrophosphate synthase CHEMBL1782 | IC50 | 4.58 | 4.58 | 26000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Farnesyl pyrophosphate synthase | IC50 | = | 26000.0 | nM | 4.58 | Allosteric inhibition of human recombinant FPPS using GPP and [3H]IPP as substra... | 24911527 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 24911527 | 10.1021/jm500629e | Farnesyl pyrophosphate synthase | 2 |
| 24911527 | 10.1021/jm500629e | No relevant target | 1 |
| 24911527 | 10.1021/jm500629e | ADMET | 1 |
Data from ChEMBL 36 via Core Engine