Compound Detail
CHEMBL4855382
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Basic Information
| ChEMBL ID | CHEMBL4855382 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ROEVHONECZUVHP-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
532.3
MW (Da)
3.11
ALogP
10
HBA
5
HBD
208.0
PSA (Ų)
0.20
QED
1
Ro5 Violations
12
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 6.73
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | IC50 | 6.73 | 6.73 | 185.0 | 1 |
| Calmodulin-sensitive adenylate cyclase CHEMBL5396 | IC50 | 6.37 | 6.37 | 428.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | IC50 | = | 185.0 | nM | 6.73 | Inhibition of Bordetella pertussis ACT by cell free assay | 34102377 |
| Calmodulin-sensitive adenylate cyclase | IC50 | = | 428.0 | nM | 6.37 | 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