Compound Detail
CHEMBL244169
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 | CHEMBL244169 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | TXWHPSZYRUHEGT-UUOKFMHZSA-N |
1
Targets
4
Activities
2
Assay Types
0
PK Parameters
7
Publications
0
Known Names
Molecular Properties
301.7
MW (Da)
-1.33
ALogP
9
HBA
4
HBD
139.5
PSA (Ų)
0.50
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas.
Ki 1 meas. best 4.06
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Bacillus anthracis CHEMBL613904 | Ki | 4.06 | 4.06 | 87000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Bacillus anthracis | Ki | = | 87000.0 | nM | 4.06 | Inhibition of inosine and alanine-induced germination of Bacillus anthracis Ster... | 17296608 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 6092635 | 10.1021/jm00377a007 | Human alphaherpesvirus 1 | 2 |
| 6092635 | 10.1021/jm00377a007 | Human alphaherpesvirus 2 | 2 |
| 17296608 | 10.1074/jbc.m611432200 | Bacillus anthracis | 2 |
| 20921305 | 10.1128/aac.01029-10 | Bacillus anthracis | 2 |
| 17336519 | 10.1016/j.bmcl.2007.02.026 | SARS-CoV | 1 |
| 20921305 | 10.1128/aac.01029-10 | J774.A1 | 1 |
| 28933546 | 10.1021/acs.jmedchem.7b01066 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine