Compound Detail
CHEMBL2017170
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Basic Information
| ChEMBL ID | CHEMBL2017170 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | UTWPSFQPDBRLNE-UHFFFAOYSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
314.8
MW (Da)
5.18
ALogP
2
HBA
1
HBD
29.5
PSA (Ų)
0.74
QED
1
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 4.4
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| RAW264.7 CHEMBL612557 | IC50 | 4.4 | 4.245 | 40000.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| RAW264.7 | IC50 | = | 40000.0 | nM | 4.4 | Inhibition of LPS-induced NO production in mouse RAW264.7 cells after 24 hrs by ... | 22494844 |
| RAW264.7 | IC50 | = | 81000.0 | nM | 4.09 | Cytotoxicity against mouse RAW264.7 cells assessed as cell viability by propidiu... | 22494844 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 22494844 | 10.1016/j.bmc.2012.03.028 | Prostaglandin G/H synthase 2 | 2 |
| 22494844 | 10.1016/j.bmc.2012.03.028 | RAW264.7 | 2 |
Data from ChEMBL 36 via Core Engine