Compound Detail
CHEMBL1201404
MOMETASONE 🧪 Phase III
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🧪 Phase III
C[C@@H]1C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(Cl)[C@@H](O)C[C@]2(C)[C@@]1(O)C(=O)CCl
Basic Information
| ChEMBL ID | CHEMBL1201404 |
| Name | MOMETASONE |
| Phase | Phase III |
| Structure Type | MOL |
| InChI Key | QLIIKPVHVRXHRI-CXSFZGCWSA-N |
1
Targets
1
Activities
1
Assay Types
1
PK Parameters
9
Publications
1
Known Names
6
Indications
Molecular Properties
427.4
MW (Da)
3.41
ALogP
4
HBA
2
HBD
74.6
PSA (Ų)
0.66
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Chirality | Single Enantiomer |
Indications
Otitis Media with Effusion Rhinitis, Allergic, Perennial Rhinitis, Allergic, Seasonal Rhinitis, Allergic, Seasonal Anemia, Sickle Cell Sinusitis
Activity Summary
IC50 1 meas. best 5.03
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Bile salt export pump CHEMBL6020 | IC50 | 5.03 | 5.03 | 9300.0 | 1 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| Cmax | 0.3 | nM | Homo sapiens |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Bile salt export pump | IC50 | = | 9300.0 | nM | 5.03 | Inhibition of recombinant human BSEP expressed in baculovirus infected sf9 cell ... | 24799086 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 16472241 | 10.2174/1570163043334794 | Hepatotoxicity | 18 |
| 22194678 | 10.1371/journal.pcbi.1002310 | Hepatotoxicity | 14 |
| 24799086 | 10.1002/hep.27206 | Homo sapiens | 2 |
| - | 10.6019/CHEMBL4495565 | SARS-CoV-2 | 2 |
| - | 10.6019/CHEMBL4808148 | Histone deacetylase 6 | 2 |
| 24799086 | 10.1002/hep.27206 | Bile salt export pump | 1 |
| 24799086 | 10.1002/hep.27206 | Liver | 1 |
| - | 10.21203/rs.3.rs-23951/v1 | SARS-CoV-2 | 1 |
| - | 10.6019/CHEMBL4495564 | Replicase polyprotein 1ab | 1 |
Data from ChEMBL 36 via Core Engine