Compound Detail
CHEMBL504553
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Basic Information
| ChEMBL ID | CHEMBL504553 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | PMISHSOTVGJZHL-NSCUHMNNSA-N |
1
Targets
6
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
235.3
MW (Da)
2.56
ALogP
5
HBA
0
HBD
61.0
PSA (Ų)
0.61
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 6 meas. best 7.61
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Giardia intestinalis CHEMBL612652 | EC50 | 7.61 | 6.8433 | 24.6 | 6 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Giardia intestinalis | EC50 | = | 24.55 | nM | 7.61 | Antigiardial activity against metronidazole-resistant Giardia lamblia isolate 71... | 19480409 |
| Giardia intestinalis | EC50 | = | 91.2 | nM | 7.04 | Antigiardial activity against metronidazole-resistant Giardia lamblia isolate 10... | 19480409 |
| Giardia intestinalis | EC50 | = | 98.0 | nM | 7.01 | Antigiardial activity against Giardia lamblia trophozoites isolates after 2 days... | 19480409 |
| Giardia intestinalis | EC50 | = | 97.72 | nM | 7.01 | Antigiardial activity against Giardia lamblia trophozoites isolates after 2 days... | 19480409 |
| Giardia intestinalis | EC50 | = | 389.05 | nM | 6.41 | Antigiardial activity against metronidazole-sensitive Giardia lamblia isolate 10... | 19480409 |
| Giardia intestinalis | EC50 | = | 1047.13 | nM | 5.98 | 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