Compound Detail
CHEMBL474140
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CC#CCOc1ccc(S(=O)(=O)N(C)c2c(N3CCN(C)CC3)ccc(Br)c2C(=O)NO)cc1
Basic Information
| ChEMBL ID | CHEMBL474140 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | AVPJZTNLOKMJMG-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
551.5
MW (Da)
2.55
ALogP
7
HBA
2
HBD
102.4
PSA (Ų)
0.31
QED
1
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 7.6
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Disintegrin and metalloproteinase domain-containing protein 17 CHEMBL3706 | IC50 | 7.6 | 7.6 | 25.0 | 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 | = | 25.0 | nM | 7.6 | Inhibition of TACE | 19095454 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 19095454 | 10.1016/j.bmc.2008.11.067 | Unchecked | 2 |
| 19095454 | 10.1016/j.bmc.2008.11.067 | Disintegrin and metalloproteinase domain-containing protein 17 | 1 |
| 19095454 | 10.1016/j.bmc.2008.11.067 | Mus musculus | 1 |
Data from ChEMBL 36 via Core Engine