Compound Detail
CHEMBL5589887
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Cc1sc(-c2cccnc2)nc1C1(CNC(=O)c2ccc(F)c(F)c2-c2ccc(C(F)(F)F)cc2)NC(=O)NC1=O
Basic Information
| ChEMBL ID | CHEMBL5589887 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | DRGHOYBVMSJEQU-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
587.5
MW (Da)
4.94
ALogP
6
HBA
3
HBD
113.1
PSA (Ų)
0.22
QED
1
Ro5 Violations
6
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 8.05
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| A disintegrin and metalloproteinase with thrombospondin motifs 7 CHEMBL5724789 | IC50 | 8.05 | 8.05 | 9.0 | 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 | = | 9.0 | nM | 8.05 | 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