Compound Detail
CHEMBL226840
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Basic Information
| ChEMBL ID | CHEMBL226840 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | QDRXDXOBHKCANX-QGZVFWFLSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
471.6
MW (Da)
2.31
ALogP
8
HBA
3
HBD
137.7
PSA (Ų)
0.33
QED
0
Ro5 Violations
11
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 8.52
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Bone morphogenetic protein 1 CHEMBL3898 | IC50 | 8.52 | 8.52 | 3.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Bone morphogenetic protein 1 | IC50 | = | 3.0 | nM | 8.52 | Inhibition of human procollagen C-proteinase expressed in CHO cells | 17591762 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 17591762 | 10.1021/jm061010z | 72 kDa type IV collagenase | 4 |
| 17591762 | 10.1021/jm061010z | No relevant target | 2 |
| 17591762 | 10.1021/jm061010z | Bone morphogenetic protein 1 | 1 |
| 17591762 | 10.1021/jm061010z | Fibroblast | 1 |
| 17591762 | 10.1021/jm061010z | Skin | 1 |
Data from ChEMBL 36 via Core Engine