Compound Detail
CHEMBL4858677
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 | CHEMBL4858677 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | MRJSNOKUSBFGMJ-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
492.2
MW (Da)
2.46
ALogP
9
HBA
5
HBD
198.7
PSA (Ų)
0.24
QED
0
Ro5 Violations
10
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 6.5
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | IC50 | 6.5 | 6.5 | 313.0 | 1 |
| Calmodulin-sensitive adenylate cyclase CHEMBL5396 | IC50 | 5.88 | 5.88 | 1335.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | IC50 | = | 313.0 | nM | 6.5 | Inhibition of Bordetella pertussis ACT by cell free assay | 34102377 |
| Calmodulin-sensitive adenylate cyclase | IC50 | = | 1335.0 | nM | 5.88 | Inhibition of Bacillus anthracis edema factor by cell free assay | 34102377 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 34102377 | 10.1016/j.ejmech.2021.113581 | Calmodulin-sensitive adenylate cyclase | 1 |
| 34102377 | 10.1016/j.ejmech.2021.113581 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine