Compound Detail
CHEMBL495629
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Basic Information
| ChEMBL ID | CHEMBL495629 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | PVOQKYVUWAHQSO-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
352.4
MW (Da)
0.49
ALogP
6
HBA
3
HBD
104.7
PSA (Ų)
0.40
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 6.7
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Disintegrin and metalloproteinase domain-containing protein 17 CHEMBL3706 | IC50 | 6.7 | 6.7 | 201.0 | 1 |
| Collagenase 3 CHEMBL280 | IC50 | 5.4 | 5.4 | 4019.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Disintegrin and metalloproteinase domain-containing protein 17 | IC50 | = | 201.0 | nM | 6.7 | Inhibition of human TACE catalytic domain expressed in CHO cells by FRET assay | 19464885 |
| Collagenase 3 | IC50 | = | 4019.0 | nM | 5.4 | inhibition of human recombinant MMP13 catalytic domain | 19464885 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 19464885 | 10.1016/j.bmcl.2009.05.020 | Disintegrin and metalloproteinase domain-containing protein 17 | 1 |
| 19464885 | 10.1016/j.bmcl.2009.05.020 | Collagenase 3 | 1 |
| 19464885 | 10.1016/j.bmcl.2009.05.020 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine