Compound Detail
CHEMBL40414
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Basic Information
| ChEMBL ID | CHEMBL40414 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | INPYDNOQRCNLPS-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
211.3
MW (Da)
1.01
ALogP
3
HBA
3
HBD
50.1
PSA (Ų)
0.45
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 4.44
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Encephalitozoon cuniculi CHEMBL612859 | IC50 | 4.44 | 4.44 | 36000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Encephalitozoon cuniculi | IC50 | = | 36000.0 | nM | 4.44 | In vitro growth inhibitory activity against Encephalitozoon cuniculi grown on RK... | 11412992 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 11412992 | 10.1016/s0960-894x(01)00315-8 | Trypanosoma brucei | 2 |
| 11412992 | 10.1016/s0960-894x(01)00315-8 | Encephalitozoon cuniculi | 1 |
Data from ChEMBL 36 via Core Engine