Compound Detail
CHEMBL559789
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Basic Information
| ChEMBL ID | CHEMBL559789 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | OHHKDUWFPNAEHQ-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
8
Publications
0
Known Names
Molecular Properties
192.2
MW (Da)
1.51
ALogP
4
HBA
2
HBD
70.7
PSA (Ų)
0.66
QED
0
Ro5 Violations
0
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 6.22
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Anthrax toxin receptor 2 CHEMBL4296326 | IC50 | 6.22 | 6.22 | 600.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Anthrax toxin receptor 2 | IC50 | = | 600.0 | nM | 6.22 | Inhibition of AF546-tagged CMG2 R40C mutant binding to AF488-tagged PA E733C mut... | 22910038 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 22910038 | 10.1016/j.bmcl.2012.07.075 | NON-PROTEIN TARGET | 2 |
| 22910038 | 10.1016/j.bmcl.2012.07.075 | ADMET | 2 |
| 19456117 | 10.1021/np900082h | Plasmodium falciparum | 1 |
| 19456117 | 10.1021/np900082h | Human alphaherpesvirus 1 | 1 |
| 19456117 | 10.1021/np900082h | Mycobacterium tuberculosis | 1 |
| 19456117 | 10.1021/np900082h | KB | 1 |
| 19456117 | 10.1021/np900082h | NCI-H187 | 1 |
| 22910038 | 10.1016/j.bmcl.2012.07.075 | Anthrax toxin receptor 2 | 1 |
Data from ChEMBL 36 via Core Engine