Compound Detail
CHEMBL1171363
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 | CHEMBL1171363 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | XWRCMPMRAXNWBC-NVNXTCNLSA-N |
1
Targets
3
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
268.3
MW (Da)
3.02
ALogP
4
HBA
1
HBD
55.8
PSA (Ų)
0.85
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 5.42
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| RAW264.7 CHEMBL612557 | IC50 | 5.42 | 4.8433 | 3790.0 | 3 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| RAW264.7 | IC50 | = | 3790.0 | nM | 5.42 | Antiinflammatory activity in mouse RAW264.7 cells assessed as inhibition of LPS-... | 21723122 |
| RAW264.7 | IC50 | = | 23380.0 | nM | 4.63 | Antiinflammatory activity in mouse RAW264.7 cells assessed as inhibition of LPS-... | 21723122 |
| RAW264.7 | IC50 | = | 32850.0 | nM | 4.48 | Cytotoxicity against mouse RAW264.7 cells after 24 hrs by MTT assay | 21723122 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 21723122 | 10.1016/j.bmcl.2011.05.117 | RAW264.7 | 3 |
| 20392544 | 10.1016/j.ejmech.2010.03.023 | NAD(P)H dehydrogenase [quinone] 1 | 2 |
| 20392544 | 10.1016/j.ejmech.2010.03.023 | ADMET | 2 |
Data from ChEMBL 36 via Core Engine