Compound Detail
CHEMBL5572305
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O=C1NC(=O)C(CNC(=O)c2ccccc2-c2ccc(C(F)(F)F)cc2)(c2ncsc2C(F)(F)F)N1
Basic Information
| ChEMBL ID | CHEMBL5572305 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | PPCJDXZMNDQMAD-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
1
PK Parameters
3
Publications
0
Known Names
Molecular Properties
528.4
MW (Da)
4.31
ALogP
5
HBA
3
HBD
100.2
PSA (Ų)
0.34
QED
1
Ro5 Violations
5
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 7.14
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| A disintegrin and metalloproteinase with thrombospondin motifs 7 CHEMBL5724789 | IC50 | 7.14 | 7.14 | 72.0 | 1 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| CL | - | - | 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 | = | 72.0 | nM | 7.14 | 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 |
| 38348661 | 10.1021/acs.jmedchem.3c02036 | ADMET | 1 |
Data from ChEMBL 36 via Core Engine