Compound Detail
CHEMBL1213657
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 | CHEMBL1213657 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | OSWGMRUTKTWVOY-JOLOJFPGSA-N |
2
Targets
4
Activities
3
Assay Types
0
PK Parameters
8
Publications
0
Known Names
Molecular Properties
297.4
MW (Da)
2.39
ALogP
4
HBA
3
HBD
86.6
PSA (Ų)
0.25
QED
0
Ro5 Violations
10
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 2 meas. best 4.54
IC50 1 meas. best 4.38
Kd 1 meas.
Target Activity Profile
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | EC50 | = | 29000.0 | nM | 4.54 | Immunosuppressive activity in mouse concanavalin A-stimulated peripheral blood l... | 21488685 |
| Unchecked | IC50 | = | 42000.0 | nM | 4.38 | Inhibition of AIP-1-induced AgrC-I activation in Staphylococcus aureus RN6390B a... | 24592914 |
| Jurkat | EC50 | = | 52000.0 | nM | 4.28 | Cytotoxicity against human Jurkat E6-1 cells assessed as cell viability after 24... | 21488685 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 19917748 | 10.1128/aac.00702-09 | Clostridioides difficile | 9 |
| 24592914 | 10.1021/jm500215s | Staphylococcus aureus | 3 |
| 21488685 | 10.1021/jm2001019 | Transcriptional activator protein LasR | 2 |
| 24592914 | 10.1021/jm500215s | Unchecked | 2 |
| 21488685 | 10.1021/jm2001019 | Unchecked | 1 |
| 21488685 | 10.1021/jm2001019 | Jurkat | 1 |
| 24592914 | 10.1021/jm500215s | No relevant target | 1 |
| 24592914 | 10.1021/jm500215s | Receptor-histidine kinase AgrC | 1 |
Data from ChEMBL 36 via Core Engine