Compound Detail
CHEMBL449181
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Basic Information
| ChEMBL ID | CHEMBL449181 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | OIKFIVHTXHLTBQ-MDZDMXLPSA-N |
2
Targets
3
Activities
2
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
279.3
MW (Da)
3.65
ALogP
4
HBA
0
HBD
61.0
PSA (Ų)
0.54
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 2 meas. best 7.0
IC50 1 meas. best 4.0
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Giardia intestinalis CHEMBL612652 | EC50 | 7.0 | 7.0 | 100.0 | 2 |
| HeLa CHEMBL399 | IC50 | 4.0 | 4.0 | 100000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Giardia intestinalis | EC50 | = | 100.0 | nM | 7.0 | Antigiardial activity against Giardia lamblia trophozoites isolates after 2 days... | 19480409 |
| Giardia intestinalis | EC50 | = | 100.0 | nM | 7.0 | Antigiardial activity against Giardia lamblia trophozoites isolates after 2 days... | 19480409 |
| HeLa | IC50 | = | 100000.0 | nM | 4.0 | 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 | 2 |
| 19480409 | 10.1021/jm900356n | HeLa | 1 |
| 19480409 | 10.1021/jm900356n | ADMET | 1 |
Data from ChEMBL 36 via Core Engine