Compound Detail
CHEMBL260340
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Basic Information
| ChEMBL ID | CHEMBL260340 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | CLAKYLXNCBNZTH-UHFFFAOYSA-N |
1
Targets
2
Activities
2
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
278.2
MW (Da)
1.89
ALogP
4
HBA
3
HBD
99.5
PSA (Ų)
0.73
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas.
Ki 1 meas. best 4.03
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Farnesyl pyrophosphate synthase CHEMBL1782 | Ki | 4.03 | 4.03 | 93000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Farnesyl pyrophosphate synthase | Ki | = | 93000.0 | nM | 4.03 | Inhibition of human recombinant FPPS expressed in Escherichia coli BL21 after 10... | 18327899 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 18327899 | 10.1021/jm7015733 | Farnesyl pyrophosphate synthase | 4 |
| 18327899 | 10.1021/jm7015733 | Rattus norvegicus | 1 |
Data from ChEMBL 36 via Core Engine