Compound Detail
CHEMBL372556
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Basic Information
| ChEMBL ID | CHEMBL372556 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | SSMOTYFKYJXQDZ-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
275.2
MW (Da)
0.92
ALogP
3
HBA
5
HBD
141.1
PSA (Ų)
0.34
QED
0
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 5.45
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Farnesyl pyrophosphate synthase CHEMBL1782 | IC50 | 5.45 | 5.45 | 3570.0 | 1 |
| Trypanosoma cruzi CHEMBL368 | IC50 | 4.14 | 4.14 | 72000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Farnesyl pyrophosphate synthase | IC50 | = | 3570.0 | nM | 5.45 | Inhibitory concentration against Trypanosoma cruzi farnesyl pyrophosphate syntha... | 16143525 |
| Trypanosoma cruzi | IC50 | = | 72000.0 | nM | 4.14 | Inhibitory concentration against growth of Trypanosoma cruzi amastigotes | 16143525 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 16143525 | 10.1016/j.bmcl.2005.07.060 | Trypanosoma cruzi | 2 |
| 16143525 | 10.1016/j.bmcl.2005.07.060 | Farnesyl pyrophosphate synthase | 1 |
Data from ChEMBL 36 via Core Engine