Compound Detail
CHEMBL374840
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Basic Information
| ChEMBL ID | CHEMBL374840 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | IRAYKKMZUQCZJL-CYBMUJFWSA-N |
2
Targets
4
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
353.4
MW (Da)
2.98
ALogP
7
HBA
2
HBD
114.5
PSA (Ų)
0.40
QED
0
Ro5 Violations
9
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 7.44
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Bone morphogenetic protein 1 CHEMBL3898 | IC50 | 7.44 | 7.44 | 36.0 | 2 |
| 72 kDa type IV collagenase CHEMBL333 | IC50 | 4.1 | 4.1 | 80000.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Bone morphogenetic protein 1 | IC50 | = | 36.0 | nM | 7.44 | Inhibition of human procollagen C-proteinase expressed in CHO cells | 17591762 |
| Bone morphogenetic protein 1 | IC50 | = | 36.0 | nM | 7.44 | Inhibition of human procollagen C-proteinase expressed in CHO cells by fluoresce... | 18945617 |
| 72 kDa type IV collagenase | IC50 | = | 80000.0 | nM | 4.1 | Inhibition of MMP2 | 17591762 |
| 72 kDa type IV collagenase | IC50 | = | 80000.0 | nM | 4.1 | Inhibition of human MMP2 by fluorescence assay | 18945617 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 17591762 | 10.1021/jm061010z | Bone morphogenetic protein 1 | 1 |
| 17591762 | 10.1021/jm061010z | 72 kDa type IV collagenase | 1 |
| 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