Compound Detail
CHEMBL495127
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Basic Information
| ChEMBL ID | CHEMBL495127 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | MQXBHLXYQURAFW-UHFFFAOYSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
451.4
MW (Da)
3.32
ALogP
4
HBA
3
HBD
131.0
PSA (Ų)
0.20
QED
0
Ro5 Violations
16
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 5.52
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Geranylgeranyl pyrophosphate synthase CHEMBL4769 | IC50 | 5.52 | 5.51 | 3020.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Geranylgeranyl pyrophosphate synthase | IC50 | = | 3020.0 | nM | 5.52 | Inhibition of human recombinant geranylgeranyl diphosphate synthase | 18800762 |
| Geranylgeranyl pyrophosphate synthase | IC50 | = | 3162.28 | nM | 5.5 | Inhibition of human recombinant geranylgeranyl diphosphate synthase | 18800762 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 18800762 | 10.1021/jm800325y | Geranylgeranyl pyrophosphate synthase | 2 |
Data from ChEMBL 36 via Core Engine