Compound Detail
CHEMBL360257
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Basic Information
| ChEMBL ID | CHEMBL360257 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | FYYONZZUDPFMJO-UHFFFAOYSA-N |
3
Targets
4
Activities
1
Assay Types
6
PK Parameters
6
Publications
0
Known Names
Molecular Properties
367.4
MW (Da)
-0.05
ALogP
6
HBA
3
HBD
108.0
PSA (Ų)
0.38
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 7.62
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Disintegrin and metalloproteinase domain-containing protein 17 CHEMBL3706 | IC50 | 7.62 | 7.62 | 24.0 | 1 |
| Collagenase 3 CHEMBL280 | IC50 | 7.5 | 7.495 | 32.0 | 2 |
| Interstitial collagenase CHEMBL332 | IC50 | 6.56 | 6.56 | 274.0 | 1 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| CL | 64.33 | mL.min-1.kg-1 | Mus musculus |
| F | 2.49 | % | Mus musculus |
| T1/2 | 1.43 | hr | Mus musculus |
| T1/2 | 2.64 | hr | Mus musculus |
| T1/2 | 0.86 | hr | Mus musculus |
| Vd | 2.49 | L.kg-1 | Mus musculus |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Disintegrin and metalloproteinase domain-containing protein 17 | IC50 | = | 24.0 | nM | 7.62 | Inhibitory concentration against TNF-alpha converting enzyme at 1 uM | 15745814 |
| Collagenase 3 | IC50 | = | 32.0 | nM | 7.5 | Inhibitory concentration against Matrix metalloprotease-13 at 1 uM | 15745814 |
| Collagenase 3 | IC50 | = | 32.36 | nM | 7.49 | Inhibition of MMP13 | 17275314 |
| Interstitial collagenase | IC50 | = | 274.0 | nM | 6.56 | Inhibitory concentration against matrix metalloprotease-1 at 1 uM | 15745814 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 15745814 | 10.1016/j.bmcl.2005.01.053 | Mus musculus | 9 |
| 15745814 | 10.1016/j.bmcl.2005.01.053 | Interstitial collagenase | 1 |
| 15745814 | 10.1016/j.bmcl.2005.01.053 | Collagenase 3 | 1 |
| 15745814 | 10.1016/j.bmcl.2005.01.053 | Disintegrin and metalloproteinase domain-containing protein 17 | 1 |
| 15745814 | 10.1016/j.bmcl.2005.01.053 | THP-1 | 1 |
| 17275314 | 10.1016/j.bmc.2007.01.011 | Collagenase 3 | 1 |
Data from ChEMBL 36 via Core Engine