Compound Detail
CHEMBL5085514
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Basic Information
| ChEMBL ID | CHEMBL5085514 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | RUQWGPDLFPHTPN-INIZCTEOSA-N |
2
Targets
3
Activities
1
Assay Types
3
PK Parameters
3
Publications
0
Known Names
Molecular Properties
340.3
MW (Da)
-0.01
ALogP
6
HBA
3
HBD
118.0
PSA (Ų)
0.66
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 7.21
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| A disintegrin and metalloproteinase with thrombospondin motifs 7 CHEMBL5724789 | IC50 | 7.21 | 7.21 | 61.0 | 1 |
| Unchecked CHEMBL612545 | IC50 | 7.16 | 6.5 | 69.0 | 2 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| CL | 11.67 | mL.min-1.kg-1 | Rattus norvegicus |
| F | 74.0 | % | Rattus norvegicus |
| Fu | 0.15 | - | 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 | = | 61.0 | nM | 7.21 | Inhibition of recombinant ADAMTS7 (unknown origin) using HiLyteFluor-488 DELSSMV... | 38348661 |
| Unchecked | IC50 | = | 69.0 | nM | 7.16 | Inhibition of recombinant rat/human ADAMTS7 hybrid using HiLyteFluor-488 DELSSMV... | - |
| Unchecked | IC50 | = | 1450.0 | nM | 5.84 | Inhibition of recombinant rat/human ADAMTS12 hybrid using HiLyteFluor-488 DELSSM... | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 38348661 | 10.1021/acs.jmedchem.3c02036 | Unchecked | 7 |
| 38348661 | 10.1021/acs.jmedchem.3c02036 | ADMET | 3 |
| 38348661 | 10.1021/acs.jmedchem.3c02036 | A disintegrin and metalloproteinase with thrombospondin motifs 7 | 1 |
Data from ChEMBL 36 via Core Engine