Compound Detail
CHEMBL361087
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Basic Information
| ChEMBL ID | CHEMBL361087 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | LMCQTXGETVCEFF-XYOKQWHBSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
486.1
MW (Da)
3.16
ALogP
4
HBA
3
HBD
108.6
PSA (Ų)
0.54
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 7.61
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Disintegrin and metalloproteinase domain-containing protein 12 CHEMBL5030 | IC50 | 7.61 | 7.61 | 24.8 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Disintegrin and metalloproteinase domain-containing protein 12 | IC50 | = | 24.8 | nM | 7.61 | Inhibition of A disintegrin and metalloprotease domain 12 (ADAM12) binding in ce... | 15546732 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 15546732 | 10.1016/j.bmcl.2004.09.082 | Disintegrin and metalloproteinase domain-containing protein 12 | 1 |
| 15546732 | 10.1016/j.bmcl.2004.09.082 | Disintegrin and metalloproteinase domain-containing protein 9 | 1 |
| 15546732 | 10.1016/j.bmcl.2004.09.082 | Disintegrin and metalloproteinase domain-containing protein 10 | 1 |
| 15546732 | 10.1016/j.bmcl.2004.09.082 | Disintegrin and metalloproteinase domain-containing protein 17 | 1 |
Data from ChEMBL 36 via Core Engine