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Compound Detail

CHEMBL1200865

LOTEPREDNOL ETABONATE
💊 Approved Drug
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💊 Approved Drug
CCOC(=O)O[C@]1(C(=O)OCCl)CC[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@H]3[C@@H](O)C[C@@]21C
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1200865
Name LOTEPREDNOL ETABONATE
Phase Approved
Structure Type MOL
InChI Key DMKSVUSAATWOCU-HROMYWEYSA-N
Therapeutic ✓ Yes

Known Names

Alrex CDDD 5604 CDDD-5604 CDDD5604 Eysuvis HGP-1 Inveltys KPI-121 Lotemax Lotemax sm Loteprednol Loteprednol etabonate +2 more
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
20
Publications
14
Known Names
8
Indications
1
Mechanisms

Molecular Properties

467.0
MW (Da)
3.92
ALogP
7
HBA
1
HBD
99.1
PSA (Ų)
0.49
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
First Approval 1998
Availability Prescription
Chirality Single Enantiomer

Routes of Administration

Topical

Flags

Natural Product
USAN Stem -pred-
USAN Year 1990

Extended Properties

Molecular Formula C24H31ClO7
MW 466.96
Aromatic Rings 0
Heavy Atoms 32
NP-Likeness 1.86

Mechanism of Action

Mechanism Action Type Target Direct Efficacy
Glucocorticoid receptor agonist AGONIST Glucocorticoid receptor ✓ ✓

Indications

Conjunctivitis, Allergic Dry Eye Syndromes Eye Diseases Inflammation Uveitis, Anterior Cataract Blepharitis Eye Pain

ATC Classification

S01BA14
loteprednol
Level 1: SENSORY ORGANS
Level 2: OPHTHALMOLOGICALS

Activity Summary

IC50 3 meas. best 4.81

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
ATP-binding cassette sub-family C member 3
CHEMBL5918
 IC50 4.81 4.81 15520.0 1
SARS-CoV-2
CHEMBL4303835
 IC50 4.75 4.75 17920.0 1
Bile salt export pump
CHEMBL6020
 IC50 4.39 4.39 40400.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
ATP-binding cassette sub-family C member 3 IC50 = 15520.0 nM 4.81 Inhibition of human MRP3 overexpressed in Sf9 insect cell membrane vesicles asse... 23956101
SARS-CoV-2 IC50 = 17920.0 nM 4.75 Determination of IC50 values for inhibition of SARS-CoV-2 induced cytotoxicity o... -
Bile salt export pump IC50 = 40400.0 nM 4.39 Inhibition of human BSEP overexpressed in Sf9 cell membrane vesicles assessed as... 23956101

Literature References

PubMed DOI Target Context # Activities
37468498 10.1038/s41467-023-40064-9 Gamma-aminobutyric acid receptor subunit alpha-1 2
- 10.6019/CHEMBL4808148 Histone deacetylase 6 2
37468498 10.1038/s41467-023-40064-9 5-hydroxytryptamine receptor 2B 2
- 10.6019/CHEMBL4651402 Vero C1008 2
- 10.21203/rs.3.rs-23951/v1 SARS-CoV-2 2
37468498 10.1038/s41467-023-40064-9 5-hydroxytryptamine receptor 2A 2
- 10.6019/CHEMBL4651402 SARS-CoV-2 2
37468498 10.1038/s41467-023-40064-9 Alpha-1A adrenergic receptor 2
- 10.6019/CHEMBL4495565 SARS-CoV-2 2
37468498 10.1038/s41467-023-40064-9 Alpha-2A adrenergic receptor 2
37468498 10.1038/s41467-023-40064-9 Nuclear receptor subfamily 1 group I member 2 2
37468498 10.1038/s41467-023-40064-9 Androgen receptor 2
37468498 10.1038/s41467-023-40064-9 Muscarinic acetylcholine receptor M2 2
- 10.6019/CHEMBL4513141 Candida albicans 1
- 10.6019/CHEMBL4513141 Klebsiella pneumoniae 1
- 10.6019/CHEMBL4513141 Escherichia coli 1
- 10.6019/CHEMBL4513141 Cryptococcus neoformans 1
- 10.21203/rs.3.rs-23951/v1 ADMET 1
- 10.1101/2020.04.03.023846 SARS-CoV-2 1
23956101 10.1093/toxsci/kft176 ATP-binding cassette sub-family C member 3 1

Data from ChEMBL 36 via Core Engine