Compound Detail
CHEMBL5202128
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 | CHEMBL5202128 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | QFKSALQTLYBGJU-UHFFFAOYSA-N |
2
Targets
4
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
302.4
MW (Da)
2.58
ALogP
3
HBA
4
HBD
81.6
PSA (Ų)
0.65
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 5.09
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| RAW264.7 CHEMBL612557 | IC50 | 5.09 | 4.6533 | 8100.0 | 3 |
| Mycobacterium tuberculosis CHEMBL360 | IC50 | 4.61 | 4.61 | 24700.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| RAW264.7 | IC50 | = | 8100.0 | nM | 5.09 | Inhibition of NO production in mouse RAW264.7 cells incubated for 24 hrs by Grie... | 34890996 |
| Mycobacterium tuberculosis | IC50 | = | 24700.0 | nM | 4.61 | Antitubercular activity against Mycobacterium tuberculosis M299 assessed as redu... | 34890996 |
| RAW264.7 | IC50 | = | 28400.0 | nM | 4.55 | Anti-inflammatory activity against LPS-stimulated mouse RAW264.7 cells assessed ... | 34890996 |
| RAW264.7 | IC50 | = | 47900.0 | nM | 4.32 | Anti-inflammatory activity against LPS-stimulated mouse RAW264.7 cells assessed ... | 34890996 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 34890996 | 10.1016/j.bmc.2021.116506 | RAW264.7 | 6 |
| 34890996 | 10.1016/j.bmc.2021.116506 | Mycobacterium tuberculosis | 5 |
| 34890996 | 10.1016/j.bmc.2021.116506 | ADMET | 2 |
Data from ChEMBL 36 via Core Engine