Compound Detail
CHEMBL181489
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Basic Information
| ChEMBL ID | CHEMBL181489 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | LBVYWWQGCDXMFA-UHFFFAOYSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
221.3
MW (Da)
3.92
ALogP
3
HBA
0
HBD
12.9
PSA (Ų)
0.73
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 2 meas. best 4.48
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Haemonchus contortus CHEMBL613144 | EC50 | 4.48 | 4.41 | 33000.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Haemonchus contortus | EC50 | = | 33000.0 | nM | 4.48 | In vitro anthelmintic activity against Haemonchus contortus after 24 hr of incub... | 15225722 |
| Haemonchus contortus | EC50 | = | 46000.0 | nM | 4.34 | In vitro anthelmintic activity against Haemonchus contortus after 2 hr of incuba... | 15225722 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 15225722 | 10.1016/j.bmcl.2004.05.044 | Haemonchus contortus | 2 |
Data from ChEMBL 36 via Core Engine