Compound Detail
CHEMBL226942
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O=C(C[C@@H](CCCC1CCCCC1)c1nc(C(=O)NS(=O)(=O)c2ccc(F)cc2)no1)NO
Basic Information
| ChEMBL ID | CHEMBL226942 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | NYCSKDJIESBLAN-OAHLLOKOSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
482.5
MW (Da)
3.06
ALogP
8
HBA
3
HBD
151.5
PSA (Ų)
0.35
QED
0
Ro5 Violations
10
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 7.48
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Bone morphogenetic protein 1 CHEMBL3898 | IC50 | 7.48 | 7.48 | 33.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Bone morphogenetic protein 1 | IC50 | = | 33.0 | nM | 7.48 | 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