Compound Detail
CHEMBL402030
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Basic Information
| ChEMBL ID | CHEMBL402030 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | UOINUECLJZQMHR-UHFFFAOYSA-N |
2
Targets
4
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
337.4
MW (Da)
3.01
ALogP
4
HBA
2
HBD
79.5
PSA (Ų)
0.43
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 9.3
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Disintegrin and metalloproteinase domain-containing protein 17 CHEMBL3706 | IC50 | 9.3 | 7.96 | 0.5 | 3 |
| RAW264.7 CHEMBL612557 | IC50 | 6.27 | 6.27 | 540.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Disintegrin and metalloproteinase domain-containing protein 17 | IC50 | = | 0.5 | nM | 9.3 | Inhibition of human TACE by fluorescent spectroscopy | 21078557 |
| Disintegrin and metalloproteinase domain-containing protein 17 | IC50 | = | 5.0 | nM | 8.3 | Inhibition of human TACE | 17936631 |
| Disintegrin and metalloproteinase domain-containing protein 17 | IC50 | = | 520.0 | nM | 6.28 | Inhibition of human TNF-alpha by fluorescent spectroscopy | 21078557 |
| RAW264.7 | IC50 | = | 540.0 | nM | 6.27 | Inhibition of TNFalpha production in mouse RAW264.7 cells after 24 hrs by ELISA | 17936631 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 17936631 | 10.1016/j.bmc.2007.09.014 | RAW264.7 | 2 |
| 21078557 | 10.1016/j.bmc.2010.10.006 | Disintegrin and metalloproteinase domain-containing protein 17 | 2 |
| 17936631 | 10.1016/j.bmc.2007.09.014 | Disintegrin and metalloproteinase domain-containing protein 17 | 1 |
| 21078557 | 10.1016/j.bmc.2010.10.006 | Mus musculus | 1 |
Data from ChEMBL 36 via Core Engine