Compound Detail
CHEMBL2347861
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Basic Information
| ChEMBL ID | CHEMBL2347861 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | RKCFLTMAEZJQBB-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
401.3
MW (Da)
2.41
ALogP
6
HBA
5
HBD
152.9
PSA (Ų)
0.41
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 7.03
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Geranylgeranyl pyrophosphate synthase CHEMBL4769 | IC50 | 7.03 | 7.03 | 94.0 | 1 |
| Farnesyl pyrophosphate synthase CHEMBL1782 | IC50 | 6.7 | 6.7 | 200.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Geranylgeranyl pyrophosphate synthase | IC50 | = | 94.0 | nM | 7.03 | Inhibition of human N-terminal His6-tagged GGPPS expressed in Escherichia coli B... | 30016091 |
| Farnesyl pyrophosphate synthase | IC50 | = | 200.0 | nM | 6.7 | Inhibition of human FPPS using [14C]-IPP and FPP as substrates after 10 mins by ... | 30016091 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 30016091 | 10.1021/acs.jmedchem.8b00886 | Geranylgeranyl pyrophosphate synthase | 2 |
| 23477945 | 10.1016/j.bmc.2013.02.006 | Farnesyl pyrophosphate synthase | 1 |
| 30016091 | 10.1021/acs.jmedchem.8b00886 | Farnesyl pyrophosphate synthase | 1 |
| 30016091 | 10.1021/acs.jmedchem.8b00886 | RPMI-8226 | 1 |
Data from ChEMBL 36 via Core Engine