Compound Detail
CHEMBL234603
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CCc1c(C)nc2ccccc2c1Cc1ccc(C(=O)N[C@@H]2CCOC[C@@H]2C(=O)NO)cc1
Basic Information
| ChEMBL ID | CHEMBL234603 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | GQIOUHRIPZEFMT-LADGPHEKSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
447.5
MW (Da)
3.34
ALogP
5
HBA
3
HBD
100.5
PSA (Ų)
0.40
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 8.11
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Disintegrin and metalloproteinase domain-containing protein 17 CHEMBL3332 | IC50 | 8.11 | 8.11 | 7.8 | 1 |
| Disintegrin and metalloproteinase domain-containing protein 17 CHEMBL3706 | IC50 | 5.92 | 5.92 | 1200.0 | 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 | = | 7.8 | nM | 8.11 | Inhibition of pig TACE | 17276676 |
| Disintegrin and metalloproteinase domain-containing protein 17 | IC50 | = | 1200.0 | nM | 5.92 | Inhibition of TACE in human whole blood | 17276676 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 17276676 | 10.1016/j.bmcl.2007.01.041 | Disintegrin and metalloproteinase domain-containing protein 17 | 2 |
Data from ChEMBL 36 via Core Engine