Compound Detail
CHEMBL9116
CARACEMIDE 🧪 Phase II
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
🧪 Phase II
Basic Information
| ChEMBL ID | CHEMBL9116 |
| Name | CARACEMIDE |
| Phase | Phase II |
| Structure Type | MOL |
| InChI Key | JURAJLFHWXNPHG-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
6
Publications
3
Known Names
Molecular Properties
189.2
MW (Da)
-0.55
ALogP
4
HBA
2
HBD
87.7
PSA (Ų)
0.50
QED
0
Ro5 Violations
0
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Chirality | Achiral |
Activity Summary
IC50 1 meas. best 5.88
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Replicase polyprotein 1ab CHEMBL4523582 | IC50 | 5.88 | 5.88 | 1330.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Replicase polyprotein 1ab | IC50 | = | 1330.0 | nM | 5.88 | SARS-CoV-2 3CL-Pro protease inhibition IC50 determined by FRET kind of response ... | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 3712373 | 10.1021/jm00156a024 | Mus musculus | 5 |
| - | 10.6019/CHEMBL4495564 | Replicase polyprotein 1ab | 4 |
| - | 10.6019/CHEMBL4495565 | SARS-CoV-2 | 2 |
| - | 10.6019/CHEMBL4808148 | Histone deacetylase 6 | 2 |
| 18834112 | 10.1021/jm800656v | Amine oxidase [flavin-containing] A | 1 |
| - | 10.21203/rs.3.rs-23951/v1 | SARS-CoV-2 | 1 |
Data from ChEMBL 36 via Core Engine