Compound Detail
CHEMBL594
EMEDASTINE 💊 Approved Drug
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💊 Approved Drug
Basic Information
| ChEMBL ID | CHEMBL594 |
| Name | EMEDASTINE |
| Phase | Approved |
| Structure Type | MOL |
| InChI Key | KBUZBQVCBVDWKX-UHFFFAOYSA-N |
| Therapeutic | ✓ Yes |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
6
Publications
2
Known Names
1
Indications
Molecular Properties
302.4
MW (Da)
2.21
ALogP
5
HBA
0
HBD
33.5
PSA (Ų)
0.79
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| First Approval | 1997 |
| Availability | Discontinued |
| Chirality | Achiral |
Indications
Eye Manifestations
ATC Classification
S01GX06
emedastine
Level 1: SENSORY ORGANS
Level 2: OPHTHALMOLOGICALS
Activity Summary
IC50 1 meas. best 8.21
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Histamine H1 receptor CHEMBL3943 | IC50 | 8.21 | 8.21 | 6.1 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Histamine H1 receptor | IC50 | = | 6.1 | nM | 8.21 | In vitro inhibition of histamine-induced contractions in guinea pig ileum | 2879912 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 22194678 | 10.1371/journal.pcbi.1002310 | Hepatotoxicity | 14 |
| - | 10.6019/CHEMBL4651402 | SARS-CoV-2 | 2 |
| 2879912 | 10.1021/jm00157a010 | Histamine H1 receptor | 1 |
| 2879912 | 10.1021/jm00157a010 | Unchecked | 1 |
| - | 10.1101/2020.04.21.054387 | SARS-CoV-2 | 1 |
| 38318365 | 10.1016/j.isci.2024.108907 | Deoxynucleoside triphosphate triphosphohydrolase SAMHD1 | 1 |
Data from ChEMBL 36 via Core Engine