Compound Detail
CHEMBL590801
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 | CHEMBL590801 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | YGNABULUPJVORE-ZHACJKMWSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
6
Publications
0
Known Names
Molecular Properties
247.3
MW (Da)
4.11
ALogP
2
HBA
1
HBD
33.1
PSA (Ų)
0.74
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 1 meas. best 4.38
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Shiga toxin subunit A CHEMBL3879822 | Ki | 4.38 | 4.38 | 41990.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Shiga toxin subunit A | Ki | = | 41990.0 | nM | 4.38 | Inhibition of Shigella dysenteriae type 1 Shiga toxin A subunit assessed as chan... | 27933947 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 27933947 | 10.1021/acs.jmedchem.6b01517 | Shiga toxin subunit A | 2 |
| 38116432 | 10.1021/acsmedchemlett.3c00369 | Plasmodium falciparum | 2 |
| 19944612 | 10.1016/j.bmc.2009.11.012 | MCF7 | 1 |
| 19944612 | 10.1016/j.bmc.2009.11.012 | NCI-H460 | 1 |
| 19944612 | 10.1016/j.bmc.2009.11.012 | SF-268 | 1 |
| 27933947 | 10.1021/acs.jmedchem.6b01517 | NON-PROTEIN TARGET | 1 |
Data from ChEMBL 36 via Core Engine