Compound Detail
CHEMBL501842
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Basic Information
| ChEMBL ID | CHEMBL501842 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | NWVMZFWCENIGSN-SNAWJCMRSA-N |
2
Targets
7
Activities
2
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
219.2
MW (Da)
2.09
ALogP
5
HBA
0
HBD
74.1
PSA (Ų)
0.58
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 6 meas. best 7.69
IC50 1 meas. best 4.03
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Giardia intestinalis CHEMBL612652 | EC50 | 7.69 | 7.1383 | 20.4 | 6 |
| HeLa CHEMBL399 | IC50 | 4.03 | 4.03 | 93325.4 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Giardia intestinalis | EC50 | = | 20.42 | nM | 7.69 | Antigiardial activity against metronidazole-resistant Giardia lamblia isolate 71... | 19480409 |
| Giardia intestinalis | EC50 | = | 34.0 | nM | 7.47 | Antigiardial activity against Giardia lamblia trophozoites isolates after 2 days... | 19480409 |
| Giardia intestinalis | EC50 | = | 33.88 | nM | 7.47 | Antigiardial activity against Giardia lamblia trophozoites isolates after 2 days... | 19480409 |
| Giardia intestinalis | EC50 | = | 35.48 | nM | 7.45 | Antigiardial activity against metronidazole-resistant Giardia lamblia isolate 10... | 19480409 |
| Giardia intestinalis | EC50 | = | 363.08 | nM | 6.44 | Antigiardial activity against metronidazole-sensitive Giardia lamblia isolate 10... | 19480409 |
| Giardia intestinalis | EC50 | = | 489.78 | nM | 6.31 | Antigiardial activity against metronidazole-sensitive Giardia lamblia isolate 71... | 19480409 |
| HeLa | IC50 | = | 93325.43 | nM | 4.03 | Cytotoxicity against human HeLa cells after 2 days by Alamar blue assay | 19480409 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 19480409 | 10.1021/jm900356n | Giardia intestinalis | 10 |
| 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