Compound Detail
CHEMBL1201362
CLOBETASOL 🧪 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(F)[C@@H](O)C[C@]2(C)[C@@]1(O)C(=O)CCl
Basic Information
| ChEMBL ID | CHEMBL1201362 |
| Name | CLOBETASOL |
| Phase | Phase III |
| Structure Type | MOL |
| InChI Key | FCSHDIVRCWTZOX-DVTGEIKXSA-N |
1
Targets
8
Activities
1
Assay Types
0
PK Parameters
6
Publications
1
Known Names
11
Indications
Molecular Properties
410.9
MW (Da)
3.14
ALogP
4
HBA
2
HBD
74.6
PSA (Ų)
0.69
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Chirality | Single Enantiomer |
Indications
Graft vs Host Disease Lichen Sclerosus et Atrophicus Bronchiolitis Obliterans Syndrome Herpes Labialis Lichen Planus, Oral Pemphigoid, Bullous Psoriasis Vulvar Lichen Sclerosus Phlebitis Scleroderma, Localized Stevens-Johnson Syndrome
Activity Summary
IC50 8 meas. best 10.15
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| PBMC CHEMBL613107 | IC50 | 10.15 | 8.5225 | 0.1 | 8 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| PBMC | IC50 | = | 0.07 | nM | 10.15 | Inhibition of PHA-induced IL4 release in human PBMC cells | 32631518 |
| PBMC | IC50 | = | 0.14 | nM | 9.85 | Inhibition of LPS-induced IL12p40 release in human PBMC cells | 32631518 |
| PBMC | IC50 | = | 0.14 | nM | 9.85 | Inhibition of PHA-induced IL2 release in human PBMC cells | 32631518 |
| PBMC | IC50 | = | 0.16 | nM | 9.8 | Inhibition of PHA-induced IFNgamma release in human PBMC cells | 32631518 |
| PBMC | IC50 | = | 0.23 | nM | 9.64 | Inhibition of LPS-induced TNFalpha release in human PBMC cells | 32631518 |
| PBMC | IC50 | = | 7.0 | nM | 8.15 | Antiinflammatory activity in human PBMCs assessed as inhibition of LPS-induced T... | 23411072 |
| PBMC | IC50 | = | 4200.0 | nM | 5.38 | Antiinflammatory activity in human PBMCs assessed as inhibition of LPS-induced I... | 23411072 |
| PBMC | IC50 | = | 4400.0 | nM | 5.36 | Antiinflammatory activity in human PBMCs assessed as inhibition of LPS-induced I... | 23411072 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 16472241 | 10.2174/1570163043334794 | Hepatotoxicity | 36 |
| 22194678 | 10.1371/journal.pcbi.1002310 | Hepatotoxicity | 14 |
| 32631518 | 10.1016/j.bmcl.2020.127298 | PBMC | 10 |
| 23411072 | 10.1016/j.bmcl.2013.01.072 | PBMC | 6 |
| - | 10.6019/CHEMBL4651402 | SARS-CoV-2 | 2 |
| 31881455 | 10.1016/j.ejmech.2019.111984 | Mus musculus | 1 |
Data from ChEMBL 36 via Core Engine