Compound Detail
CHEMBL296800
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 | CHEMBL296800 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ZTHLHHDJRXJGRX-UHFFFAOYSA-N |
4
Targets
6
Activities
1
Assay Types
0
PK Parameters
16
Publications
0
Known Names
Molecular Properties
284.3
MW (Da)
2.88
ALogP
5
HBA
2
HBD
79.9
PSA (Ų)
0.71
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 6 meas. best 6.66
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| J774.A1 CHEMBL614040 | IC50 | 6.66 | 5.925 | 220.0 | 2 |
| No relevant target CHEMBL2362975 | IC50 | 4.69 | 4.62 | 20220.0 | 2 |
| SW480 CHEMBL612544 | IC50 | 4.53 | 4.53 | 29410.0 | 1 |
| NON-PROTEIN TARGET CHEMBL3879801 | IC50 | 4.51 | 4.51 | 30930.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| J774.A1 | IC50 | = | 220.0 | nM | 6.66 | Anti-inflammatory activity in mouse J774.A1 macrophage cells assessed as reducti... | 37683361 |
| J774.A1 | IC50 | = | 6400.0 | nM | 5.19 | Antiinflammatory activity in LPS-induced mouse J774.A1 macrophage cells assessed... | 37683361 |
| No relevant target | IC50 | = | 20220.0 | nM | 4.69 | Antioxidant activity assessed as ABTS radical scavenging activity after 6 mins b... | - |
| No relevant target | IC50 | = | 28400.0 | nM | 4.55 | Antioxidant activity assessed as DPPH radical scavenging activity after 30 mins ... | - |
| SW480 | IC50 | = | 29410.0 | nM | 4.53 | Antiproliferative activity against human SW480 cells after 48 hrs by MTT assay | - |
| NON-PROTEIN TARGET | IC50 | = | 30930.0 | nM | 4.51 | Antiproliferative activity against human DLD1 cells after 48 hrs by MTT assay | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| - | 10.1016/S0960-894X(01)80881-7 | Escherichia coli | 4 |
| 12729671 | 10.1016/s0960-894x(03)00197-5 | H9 | 2 |
| - | 10.1016/S0960-894X(01)80881-7 | Salmonella typhimurium | 2 |
| - | 10.1016/S0960-894X(01)80881-7 | Stenotrophomonas maltophilia | 2 |
| - | 10.1039/C5MD00163C | No relevant target | 2 |
| 37683361 | 10.1016/j.ejmech.2023.115791 | J774.A1 | 2 |
| - | 10.1016/S0960-894X(01)80881-7 | DNA gyrase | 1 |
| - | 10.1016/S0960-894X(01)80881-7 | DNA topoisomerase 2-beta | 1 |
| - | 10.1016/S0960-894X(01)80881-7 | Staphylococcus epidermidis | 1 |
| - | 10.1016/S0960-894X(01)80881-7 | Staphylococcus aureus | 1 |
| - | 10.1039/C5MD00163C | SW480 | 1 |
| - | 10.1039/C5MD00163C | HT-29 | 1 |
| - | 10.1039/C5MD00163C | NON-PROTEIN TARGET | 1 |
| - | 10.1039/C5MD00163C | HepG2 | 1 |
| - | 10.1039/C5MD00163C | ADMET | 1 |
| 32364726 | 10.1021/acs.jnatprod.0c00014 | Fructose-1,6-bisphosphatase 1 | 1 |
Data from ChEMBL 36 via Core Engine