Compound Detail
CHEMBL522740
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 | CHEMBL522740 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | DETMWLIPDNLWTE-UHFFFAOYSA-N |
2
Targets
3
Activities
2
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
403.1
MW (Da)
4.21
ALogP
4
HBA
0
HBD
61.0
PSA (Ų)
0.44
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 2 meas. best 7.19
IC50 1 meas. best 4.95
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Giardia intestinalis CHEMBL612652 | EC50 | 7.19 | 7.19 | 64.6 | 2 |
| HeLa CHEMBL399 | IC50 | 4.95 | 4.95 | 11220.2 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Giardia intestinalis | EC50 | = | 65.0 | nM | 7.19 | Antigiardial activity against Giardia lamblia trophozoites isolates after 2 days... | 19480409 |
| Giardia intestinalis | EC50 | = | 64.57 | nM | 7.19 | Antigiardial activity against Giardia lamblia trophozoites isolates after 2 days... | 19480409 |
| HeLa | IC50 | = | 11220.18 | nM | 4.95 | Cytotoxicity against human HeLa cells after 2 days by Alamar blue assay | 19480409 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 32869995 | 10.1021/acs.jmedchem.0c00910 | Giardia intestinalis | 3 |
| 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