Compound Detail
CHEMBL482319
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Basic Information
| ChEMBL ID | CHEMBL482319 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | JRIDLXYLYGFXAV-LJQANCHMSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
428.5
MW (Da)
4.07
ALogP
6
HBA
2
HBD
108.6
PSA (Ų)
0.44
QED
0
Ro5 Violations
10
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 7.19
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Bone morphogenetic protein 1 CHEMBL3898 | IC50 | 7.19 | 7.19 | 65.0 | 1 |
| 72 kDa type IV collagenase CHEMBL333 | IC50 | 4.09 | 4.09 | 81800.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Bone morphogenetic protein 1 | IC50 | = | 65.0 | nM | 7.19 | Inhibition of human procollagen C-proteinase expressed in CHO cells by fluoresce... | 18945617 |
| 72 kDa type IV collagenase | IC50 | = | 81800.0 | nM | 4.09 | Inhibition of human MMP2 by fluorescence assay | 18945617 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 18945617 | 10.1016/j.bmcl.2008.10.036 | Bone morphogenetic protein 1 | 1 |
| 18945617 | 10.1016/j.bmcl.2008.10.036 | 72 kDa type IV collagenase | 1 |
Data from ChEMBL 36 via Core Engine