Compound Detail
CHEMBL1818656
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Basic Information
| ChEMBL ID | CHEMBL1818656 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | SKOZFDIGKDPQBO-KJWHEZOQSA-N |
1
Targets
2
Activities
2
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
311.3
MW (Da)
-0.85
ALogP
6
HBA
4
HBD
108.2
PSA (Ų)
0.56
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas.
Kd 1 meas. best 4.32
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Farnesyl pyrophosphate synthase CHEMBL1075093 | Kd | 4.32 | 4.32 | 48100.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Farnesyl pyrophosphate synthase | Kd | = | 48100.0 | nM | 4.32 | Binding affinity to rat FPPS expressed in Escherichia coli BL21 (DE3) by isother... | 31785819 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 30344002 | 10.1016/j.bmc.2018.10.008 | Poly-beta-1,6-N-acetyl-D-glucosamine N-deacetylase | 2 |
| 30344002 | 10.1016/j.bmc.2018.10.008 | Peptidoglycan-N-acetylglucosamine deacetylase | 2 |
| 31785819 | 10.1016/j.ejmech.2019.111905 | Farnesyl pyrophosphate synthase | 2 |
| - | 10.1016/0960-894X(94)80002-2 | Beta-1,4-galactosyltransferase 1 | 1 |
| 21855355 | 10.1016/j.bmc.2011.07.031 | PC-12 | 1 |
Data from ChEMBL 36 via Core Engine