Compound Detail
CHEMBL2355333
ZIMELDINE HYDROCHLORIDE 💊 Approved Drug
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💊 Approved Drug
Basic Information
| ChEMBL ID | CHEMBL2355333 |
| Name | ZIMELDINE HYDROCHLORIDE |
| Phase | Approved |
| Structure Type | MOL |
| InChI Key | WFUAVXYXJOQWAZ-GVKRCPFFSA-N |
| Parent Compound | CHEMBL37744 |
| Active Moiety | CHEMBL37744 |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
6
Known Names
1
Mechanisms
Molecular Properties
317.2
MW (Da)
3.84
ALogP
2
HBA
0
HBD
16.1
PSA (Ų)
0.85
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Withdrawn |
| Chirality | Achiral |
Mechanism of Action
| Mechanism | Action Type | Target | Direct | Efficacy |
|---|---|---|---|---|
| Serotonin (5-HT) receptor antagonist | ANTAGONIST | Serotonin (5-HT) receptor | ✓ | ✓ |
Drug Warnings
Withdrawn
hepatotoxicity
Guillan-Barre Syndrome, hepatotoxicity
Withdrawn
neurotoxicity
Guillan-Barre Syndrome, hepatotoxicity
Withdrawn
hepatotoxicity
Guillan-Barre Syndrome, hepatotoxicity
Withdrawn
neurotoxicity
associated with incidences of hypersensitivity of varying severity and serious neurological side effects including the Guillain-Barre syndrome
Withdrawn
immune system toxicity
associated with incidences of hypersensitivity of varying severity and serious neurological side effects including the Guillain-Barre syndrome
Withdrawn
neurotoxicity
associated with incidences of hypersensitivity of varying severity and serious neurological side effects including the Guillain-Barre syndrome
Activity Summary
IC50 2 meas. best 5.08
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | IC50 | 5.08 | 4.815 | 8361.1 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | IC50 | = | 8361.09 | nM | 5.08 | PubChem BioAssay. insulin secretion from INS-1E cells in the presence of 5 mM gl... | - |
| Unchecked | IC50 | = | 27874.03 | nM | 4.55 | PubChem BioAssay. tonic K+ channel activity under 0.1 mM glucose conditions in I... | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| - | 10.6019/CHEMBL4495565 | SARS-CoV-2 | 2 |
| - | 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