Compound Detail
CHEMBL354201
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 | CHEMBL354201 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | LGFDNUSAWCHVJN-UHFFFAOYSA-N |
1
Targets
4
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
186.2
MW (Da)
2.40
ALogP
2
HBA
0
HBD
34.1
PSA (Ų)
0.62
QED
0
Ro5 Violations
0
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 4 meas. best 4.68
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| NON-PROTEIN TARGET CHEMBL3879801 | EC50 | 4.68 | 4.57 | 21100.0 | 3 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| NON-PROTEIN TARGET | EC50 | = | 21100.0 | nM | 4.68 | Cytotoxicity against human THLE cells assessed as ATP depletion after 72 hrs by ... | - |
| NON-PROTEIN TARGET | EC50 | = | 23100.0 | nM | 4.64 | Cytotoxicity against human THLE cells assessed as ATP depletion after 24 hrs by ... | - |
| NON-PROTEIN TARGET | EC50 | = | 40900.0 | nM | 4.39 | Cytotoxicity against human THLE cells assessed as ATP depletion after 4 hrs by C... | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 6737425 | 10.1021/jm00372a021 | Mus musculus | 6 |
| - | 10.1039/C3MD00149K | NON-PROTEIN TARGET | 4 |
| 23327468 | 10.1021/jm301485d | HT-22 | 2 |
| 23327468 | 10.1021/jm301485d | ADMET | 1 |
| - | 10.1039/C3MD00149K | No relevant target | 1 |
Data from ChEMBL 36 via Core Engine