Compound Detail
CHEMBL5595087
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Cn1nccc1[C@]1(CNC(=O)c2cccc(F)c2-c2ccc(C(F)(F)F)cc2)NC(=O)NC1=O
Basic Information
| ChEMBL ID | CHEMBL5595087 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | MJZGBKRYDRYPTO-NRFANRHFSA-N |
1
Targets
1
Activities
1
Assay Types
1
PK Parameters
2
Publications
0
Known Names
Molecular Properties
475.4
MW (Da)
2.71
ALogP
5
HBA
3
HBD
105.1
PSA (Ų)
0.39
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 8.3
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| A disintegrin and metalloproteinase with thrombospondin motifs 7 CHEMBL5724789 | IC50 | 8.3 | 8.3 | 5.0 | 1 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| CL | 11.67 | mL.min-1.kg-1 | Rattus norvegicus |
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 | = | 5.0 | nM | 8.3 | 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 | ADMET | 1 |
Data from ChEMBL 36 via Core Engine