Compound Detail
CHEMBL2179141
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Basic Information
| ChEMBL ID | CHEMBL2179141 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | MEPWBBDBUKHMRO-LPHFKDDMSA-N |
1
Targets
4
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
438.5
MW (Da)
5.60
ALogP
6
HBA
4
HBD
105.6
PSA (Ų)
0.29
QED
1
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 4 meas. best 6.0
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Protective antigen CHEMBL5352 | EC50 | 6.0 | 5.88 | 1000.0 | 4 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Protective antigen | EC50 | = | 1000.0 | nM | 6.0 | Inhibition of matrix metalloprotease activated Bacillus anthracis Protective ant... | 22954387 |
| Protective antigen | EC50 | = | 1000.0 | nM | 6.0 | Inhibition of Bacillus anthracis Protective antigen-mediated cytotoxicity in HT1... | 22954387 |
| Protective antigen | EC50 | = | 1000.0 | nM | 6.0 | Inhibition of Bacillus anthracis Protective antigen-mediated cytotoxicity in RAW... | 22954387 |
| Protective antigen | EC50 | = | 3000.0 | nM | 5.52 | Inhibition of Bacillus anthracis Protective antigen-mediated cytotoxicity in RAW... | 22954387 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 22954387 | 10.1021/jm300804e | Protective antigen | 14 |
| 22954387 | 10.1021/jm300804e | Unchecked | 5 |
| 22954387 | 10.1021/jm300804e | HT-1080 | 1 |
| 22954387 | 10.1021/jm300804e | RAW264.7 | 1 |
Data from ChEMBL 36 via Core Engine