Compound Detail
CHEMBL1200617
RIMEXOLONE 💊 Approved Drug
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💊 Approved Drug
CCC(=O)[C@@]1(C)[C@H](C)C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@H]3[C@@H](O)C[C@@]21C
Basic Information
| ChEMBL ID | CHEMBL1200617 |
| Name | RIMEXOLONE |
| Phase | Approved |
| Structure Type | MOL |
| InChI Key | QTTRZHGPGKRAFB-OOKHYKNYSA-N |
| Therapeutic | ✓ Yes |
2
Targets
5
Activities
1
Assay Types
0
PK Parameters
20
Publications
6
Known Names
2
Indications
1
Mechanisms
Molecular Properties
370.5
MW (Da)
4.50
ALogP
3
HBA
1
HBD
54.4
PSA (Ų)
0.78
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| First Approval | 1994 |
| Availability | Discontinued |
| Chirality | Single Enantiomer |
Mechanism of Action
| Mechanism | Action Type | Target | Direct | Efficacy |
|---|---|---|---|---|
| Glucocorticoid receptor agonist | AGONIST | Glucocorticoid receptor | ✓ | ✓ |
Indications
Eye Diseases Dry Eye Syndromes
ATC Classification
H02AB12
rimexolone
Level 1: SYSTEMIC HORMONAL PREPARATIONS, EXCL. SEX HORMONES AND INSULINS
Level 2: CORTICOSTEROIDS FOR SYSTEMIC USE
S01BA13
rimexolone
Level 1: SENSORY ORGANS
Level 2: OPHTHALMOLOGICALS
Activity Summary
EC50 5 meas. best 6.4
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Nuclear receptor subfamily 1 group I member 2 CHEMBL3401 | EC50 | 6.4 | 5.8 | 400.0 | 4 |
| Nuclear receptor subfamily 1 group I member 2 CHEMBL2146315 | EC50 | 6.17 | 6.17 | 680.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Nuclear receptor subfamily 1 group I member 2 | EC50 | = | 400.0 | nM | 6.4 | Activation of PXR in human cryopreserved hepatocytes assessed as induction of CY... | 20966043 |
| Nuclear receptor subfamily 1 group I member 2 | EC50 | = | 680.0 | nM | 6.17 | Activation of rat PXR expressed in human HepG2 cells after 24 hrs by luciferase ... | 20966043 |
| Nuclear receptor subfamily 1 group I member 2 | EC50 | = | 1600.0 | nM | 5.8 | Activation of human PXR expressed in human HepG2 (DPX-2) cells assessed as induc... | 20966043 |
| Nuclear receptor subfamily 1 group I member 2 | EC50 | = | 2500.0 | nM | 5.6 | Competitive binding affinity to human PXR LBD (111 to 434) by TR-FRET assay | 20966043 |
| Nuclear receptor subfamily 1 group I member 2 | EC50 | = | 4000.0 | nM | 5.4 | Activation of human PXR expressed in human HepG2 (DPX-2) cells after 24 hrs by l... | 20966043 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 16472241 | 10.2174/1570163043334794 | Hepatotoxicity | 18 |
| 22194678 | 10.1371/journal.pcbi.1002310 | Hepatotoxicity | 14 |
| 20966043 | 10.1124/dmd.110.035105 | Nuclear receptor subfamily 1 group I member 2 | 9 |
| 37468498 | 10.1038/s41467-023-40064-9 | Mu-type opioid receptor | 2 |
| 37468498 | 10.1038/s41467-023-40064-9 | Muscarinic acetylcholine receptor M2 | 2 |
| 37468498 | 10.1038/s41467-023-40064-9 | 5-hydroxytryptamine receptor 2B | 2 |
| 37468498 | 10.1038/s41467-023-40064-9 | Gamma-aminobutyric acid receptor subunit alpha-1 | 2 |
| 37468498 | 10.1038/s41467-023-40064-9 | 5-hydroxytryptamine receptor 1A | 2 |
| 37468498 | 10.1038/s41467-023-40064-9 | Alpha-2A adrenergic receptor | 2 |
| 37468498 | 10.1038/s41467-023-40064-9 | 5-hydroxytryptamine receptor 2A | 2 |
| - | 10.6019/CHEMBL4808148 | Histone deacetylase 6 | 2 |
| - | 10.6019/CHEMBL4651402 | SARS-CoV-2 | 2 |
| - | 10.6019/CHEMBL4495565 | SARS-CoV-2 | 2 |
| 37468498 | 10.1038/s41467-023-40064-9 | Voltage-dependent L-type calcium channel subunit alpha-1C | 1 |
| 37468498 | 10.1038/s41467-023-40064-9 | Glutamate receptor ionotropic, NMDA 1 | 1 |
| 37468498 | 10.1038/s41467-023-40064-9 | Beta-1 adrenergic receptor | 1 |
| 37468498 | 10.1038/s41467-023-40064-9 | Beta-2 adrenergic receptor | 1 |
| 38318365 | 10.1016/j.isci.2024.108907 | Deoxynucleoside triphosphate triphosphohydrolase SAMHD1 | 1 |
| - | 10.6019/CHEMBL4495564 | Replicase polyprotein 1ab | 1 |
| - | 10.21203/rs.3.rs-23951/v1 | SARS-CoV-2 | 1 |
Data from ChEMBL 36 via Core Engine