Compound Detail
CHEMBL2017173
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Basic Information
| ChEMBL ID | CHEMBL2017173 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | CTADCQLHMMRNSR-UHFFFAOYSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
298.4
MW (Da)
3.72
ALogP
3
HBA
2
HBD
49.7
PSA (Ų)
0.77
QED
0
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 4.39
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| RAW264.7 CHEMBL612557 | IC50 | 4.39 | 4.335 | 41000.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| RAW264.7 | IC50 | = | 41000.0 | nM | 4.39 | Inhibition of LPS-induced NO production in mouse RAW264.7 cells after 24 hrs by ... | 22494844 |
| RAW264.7 | IC50 | = | 53000.0 | nM | 4.28 | 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