Compound Detail
CHEMBL98719
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Basic Information
| ChEMBL ID | CHEMBL98719 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | MEVVOZVAMXABEA-UHFFFAOYSA-N |
2
Targets
6
Activities
2
Assay Types
0
PK Parameters
6
Publications
0
Known Names
Molecular Properties
296.2
MW (Da)
0.48
ALogP
4
HBA
5
HBD
140.0
PSA (Ų)
0.49
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 6.13
Ki 2 meas. best 6.81
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Farnesyl pyrophosphate synthase CHEMBL1782 | Ki | 6.81 | 6.76 | 155.4 | 2 |
| Farnesyl pyrophosphate synthase CHEMBL1782 | IC50 | 6.13 | 6.065 | 734.5 | 2 |
| Dictyostelium discoideum CHEMBL612373 | IC50 | 4.4 | 4.4 | 40000.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Farnesyl pyrophosphate synthase | Ki | = | 155.4 | nM | 6.81 | Inhibition of human recombinant FPPS expressed in Escherichia coli BL21 | 18327899 |
| Farnesyl pyrophosphate synthase | Ki | = | 196.2 | nM | 6.71 | Inhibition of human recombinant FPPS expressed in Escherichia coli BL21 after 10... | 18327899 |
| Farnesyl pyrophosphate synthase | IC50 | = | 734.5 | nM | 6.13 | Inhibition of human recombinant FPPS expressed in Escherichia coli BL21 after 10... | 18327899 |
| Farnesyl pyrophosphate synthase | IC50 | = | 988.6 | nM | 6.0 | Inhibition of human recombinant FPPS expressed in Escherichia coli BL21 | 18327899 |
| Dictyostelium discoideum | IC50 | = | 40000.0 | nM | 4.4 | Ability to inhibit growth of Dictostelium discoideum. | 12086477 |
| Dictyostelium discoideum | IC50 | = | 40000.0 | nM | 4.4 | Antimicrobial activity against Dictyostelium discoideum | 18590315 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 18327899 | 10.1021/jm7015733 | Farnesyl pyrophosphate synthase | 4 |
| 12086477 | 10.1021/jm010279+ | Rattus norvegicus | 1 |
| 12086477 | 10.1021/jm010279+ | Dictyostelium discoideum | 1 |
| 18327899 | 10.1021/jm7015733 | Rattus norvegicus | 1 |
| 18590315 | 10.1021/jm7015792 | Farnesyl pyrophosphate synthase | 1 |
| 18590315 | 10.1021/jm7015792 | Dictyostelium discoideum | 1 |
Data from ChEMBL 36 via Core Engine