Compound Detail
CHEMBL4589567
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Basic Information
| ChEMBL ID | CHEMBL4589567 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | MRVZYYYNUNGBNW-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
7
Publications
0
Known Names
Molecular Properties
320.2
MW (Da)
1.11
ALogP
4
HBA
4
HBD
132.9
PSA (Ų)
0.62
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 6.0
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Farnesyl pyrophosphate synthase CHEMBL1782 | IC50 | 6.0 | 6.0 | 1000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Farnesyl pyrophosphate synthase | IC50 | = | 1000.0 | nM | 6.0 | Inhibition of FDPS (unknown origin) using [14C] IPP and GPP as substrate preincu... | 31699606 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 31699606 | 10.1016/j.bmcl.2019.126757 | Geranylgeranyl transferase type-2 | 3 |
| 31699606 | 10.1016/j.bmcl.2019.126757 | Farnesyl pyrophosphate synthase | 3 |
| 31699606 | 10.1016/j.bmcl.2019.126757 | Protein farnesyltransferase | 2 |
| 31699606 | 10.1016/j.bmcl.2019.126757 | Geranylgeranyl transferase type I | 1 |
| 31699606 | 10.1016/j.bmcl.2019.126757 | Unchecked | 1 |
| 31699606 | 10.1016/j.bmcl.2019.126757 | Geranylgeranyl pyrophosphate synthase | 1 |
| 31699606 | 10.1016/j.bmcl.2019.126757 | geranylgeranyltransferase type-I | 1 |
Data from ChEMBL 36 via Core Engine