Compound Detail
CHEMBL501780
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Basic Information
| ChEMBL ID | CHEMBL501780 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | HQNPBCRSFJXIJL-UHFFFAOYSA-N |
1
Targets
6
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
231.2
MW (Da)
2.11
ALogP
4
HBA
0
HBD
61.0
PSA (Ų)
0.60
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 6 meas. best 6.99
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Giardia intestinalis CHEMBL612652 | EC50 | 6.99 | 6.3333 | 102.3 | 6 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Giardia intestinalis | EC50 | = | 102.33 | nM | 6.99 | Antigiardial activity against metronidazole-resistant Giardia lamblia isolate 71... | 19480409 |
| Giardia intestinalis | EC50 | = | 173.78 | nM | 6.76 | Antigiardial activity against metronidazole-resistant Giardia lamblia isolate 10... | 19480409 |
| Giardia intestinalis | EC50 | = | 209.0 | nM | 6.68 | Antigiardial activity against Giardia lamblia trophozoites isolates after 2 days... | 19480409 |
| Giardia intestinalis | EC50 | = | 208.93 | nM | 6.68 | Antigiardial activity against Giardia lamblia trophozoites isolates after 2 days... | 19480409 |
| Giardia intestinalis | EC50 | = | 2570.4 | nM | 5.59 | Antigiardial activity against metronidazole-sensitive Giardia lamblia isolate 10... | 19480409 |
| Giardia intestinalis | EC50 | = | 5011.87 | nM | 5.3 | Antigiardial activity against metronidazole-sensitive Giardia lamblia isolate 71... | 19480409 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 19480409 | 10.1021/jm900356n | Giardia intestinalis | 8 |
| 19480409 | 10.1021/jm900356n | HeLa | 1 |
| 19480409 | 10.1021/jm900356n | ADMET | 1 |
| 19480409 | 10.1021/jm900356n | Mus musculus | 1 |
Data from ChEMBL 36 via Core Engine