Compound Detail
CHEMBL4204554
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 | CHEMBL4204554 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | CVUGMFABZAFDNS-UHFFFAOYSA-N |
2
Targets
2
Activities
2
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
394.4
MW (Da)
1.71
ALogP
7
HBA
1
HBD
115.5
PSA (Ų)
0.78
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 7.5
Ki 1 meas. best 4.56
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Lethal factor CHEMBL4372 | EC50 | 7.5 | 7.5 | 31.7 | 1 |
| Calmodulin-sensitive adenylate cyclase CHEMBL5396 | Ki | 4.56 | 4.56 | 27600.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Lethal factor | EC50 | = | 31.7 | nM | 7.5 | Inactivation of Bacillus anthracis edema factor in mouse RAW264.7 cells assessed... | 29198864 |
| Calmodulin-sensitive adenylate cyclase | Ki | = | 27600.0 | nM | 4.56 | Inactivation of Bacillus anthracis edema factor in presence of CaM incubated for... | 29198864 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 29198864 | 10.1016/j.bmcl.2017.11.040 | Calmodulin-sensitive adenylate cyclase | 4 |
| 29198864 | 10.1016/j.bmcl.2017.11.040 | RAW264.7 | 2 |
| 29198864 | 10.1016/j.bmcl.2017.11.040 | Lethal factor | 2 |
| 29198864 | 10.1016/j.bmcl.2017.11.040 | No relevant target | 1 |
Data from ChEMBL 36 via Core Engine