Compound Detail
CHEMBL251848
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Basic Information
| ChEMBL ID | CHEMBL251848 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | NNEYUWWQEQYTDH-OALUTQOASA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
400.5
MW (Da)
1.72
ALogP
5
HBA
3
HBD
84.9
PSA (Ų)
0.53
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 5.96
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Disintegrin and metalloproteinase domain-containing protein 10 CHEMBL5028 | IC50 | 5.96 | 5.96 | 1102.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Disintegrin and metalloproteinase domain-containing protein 10 | IC50 | = | 1102.0 | nM | 5.96 | Binding affinity to ADAM10 | 18036818 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 18036818 | 10.1016/j.bmcl.2007.10.108 | Disintegrin and metalloproteinase domain-containing protein 10 | 2 |
| 18036818 | 10.1016/j.bmcl.2007.10.108 | Interstitial collagenase | 1 |
| 18036818 | 10.1016/j.bmcl.2007.10.108 | 72 kDa type IV collagenase | 1 |
Data from ChEMBL 36 via Core Engine