Compound Detail
CHEMBL506970
Enter ChEMBL ID:
Free Research Context
This compound will appear in recent viewed items on the research home for this browser.
Research home
View demo workspace
Basic Information
| ChEMBL ID | CHEMBL506970 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | RKOHFIPEQNRKJW-QPJJXVBHSA-N |
2
Targets
7
Activities
2
Assay Types
0
PK Parameters
4
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 8.09
IC50 1 meas. best 4.14
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Giardia intestinalis CHEMBL612652 | EC50 | 8.09 | 7.265 | 8.1 | 6 |
| HeLa CHEMBL399 | IC50 | 4.14 | 4.14 | 72443.6 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Giardia intestinalis | EC50 | = | 8.128 | nM | 8.09 | Antigiardial activity against metronidazole-resistant Giardia lamblia isolate 71... | 19480409 |
| Giardia intestinalis | EC50 | = | 49.0 | nM | 7.31 | Antigiardial activity against Giardia lamblia trophozoites isolates after 2 days... | 19480409 |
| Giardia intestinalis | EC50 | = | 48.98 | nM | 7.31 | Antigiardial activity against Giardia lamblia trophozoites isolates after 2 days... | 19480409 |
| Giardia intestinalis | EC50 | = | 72.44 | nM | 7.14 | Antigiardial activity against metronidazole-resistant Giardia lamblia isolate 10... | 19480409 |
| Giardia intestinalis | EC50 | = | 91.2 | nM | 7.04 | Antigiardial activity against metronidazole-sensitive Giardia lamblia isolate 71... | 19480409 |
| Giardia intestinalis | EC50 | = | 199.53 | nM | 6.7 | Antigiardial activity against metronidazole-sensitive Giardia lamblia isolate 10... | 19480409 |
| HeLa | IC50 | = | 72443.6 | nM | 4.14 | 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