Compound Detail
CHEMBL497427
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Basic Information
| ChEMBL ID | CHEMBL497427 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | XKGSFHHPIHOTBG-AATRIKPKSA-N |
2
Targets
7
Activities
2
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
308.1
MW (Da)
3.26
ALogP
4
HBA
0
HBD
61.0
PSA (Ų)
0.65
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 6 meas. best 7.49
IC50 1 meas. best 4.06
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Giardia intestinalis CHEMBL612652 | EC50 | 7.49 | 7.2267 | 32.4 | 6 |
| HeLa CHEMBL399 | IC50 | 4.06 | 4.06 | 87096.4 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Giardia intestinalis | EC50 | = | 32.36 | nM | 7.49 | Antigiardial activity against metronidazole-resistant Giardia lamblia isolate 71... | 19480409 |
| Giardia intestinalis | EC50 | = | 42.66 | nM | 7.37 | Antigiardial activity against metronidazole-resistant Giardia lamblia isolate 10... | 19480409 |
| Giardia intestinalis | EC50 | = | 47.0 | nM | 7.33 | Antigiardial activity against Giardia lamblia trophozoites isolates after 2 days... | 19480409 |
| Giardia intestinalis | EC50 | = | 46.77 | nM | 7.33 | Antigiardial activity against Giardia lamblia trophozoites isolates after 2 days... | 19480409 |
| Giardia intestinalis | EC50 | = | 114.82 | nM | 6.94 | Antigiardial activity against metronidazole-sensitive Giardia lamblia isolate 10... | 19480409 |
| Giardia intestinalis | EC50 | = | 125.89 | nM | 6.9 | Antigiardial activity against metronidazole-sensitive Giardia lamblia isolate 71... | 19480409 |
| HeLa | IC50 | = | 87096.36 | nM | 4.06 | 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 | 8 |
| 19480409 | 10.1021/jm900356n | HeLa | 1 |
| 19480409 | 10.1021/jm900356n | ADMET | 1 |
Data from ChEMBL 36 via Core Engine