Compound Detail
CHEMBL5570826
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Cc1sc(-c2ccccc2)nc1C1(CNC(=O)c2ccc(F)c(F)c2-c2ccc(C(F)(F)F)cc2)NC(=O)NC1=O
Basic Information
| ChEMBL ID | CHEMBL5570826 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | KMMJMRCVQTVNSU-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
586.5
MW (Da)
5.55
ALogP
5
HBA
3
HBD
100.2
PSA (Ų)
0.20
QED
2
Ro5 Violations
6
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 7.33
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| A disintegrin and metalloproteinase with thrombospondin motifs 7 CHEMBL5724789 | IC50 | 7.33 | 7.33 | 47.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| A disintegrin and metalloproteinase with thrombospondin motifs 7 | IC50 | = | 47.0 | nM | 7.33 | Inhibition of recombinant ADAMTS7 (unknown origin) using HiLyteFluor-488 DELSSMV... | 38348661 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 38348661 | 10.1021/acs.jmedchem.3c02036 | A disintegrin and metalloproteinase with thrombospondin motifs 7 | 1 |
| 38348661 | 10.1021/acs.jmedchem.3c02036 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine