Compound Detail
CHEMBL389491
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COc1ccc(S(=O)(=O)NC(=O)c2noc([C@H](CCCC3CCCCC3)CC(=O)NO)n2)cc1OC
Basic Information
| ChEMBL ID | CHEMBL389491 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | DETKWZCQRDQNAY-MRXNPFEDSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
524.6
MW (Da)
2.94
ALogP
10
HBA
3
HBD
169.9
PSA (Ų)
0.28
QED
1
Ro5 Violations
12
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 8.74
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Bone morphogenetic protein 1 CHEMBL3898 | IC50 | 8.74 | 8.74 | 1.8 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Bone morphogenetic protein 1 | IC50 | = | 1.8 | nM | 8.74 | Inhibition of human procollagen C-proteinase expressed in CHO cells | 17591762 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 17591762 | 10.1021/jm061010z | Bone morphogenetic protein 1 | 1 |
Data from ChEMBL 36 via Core Engine