Compound Detail
CHEMBL419296
ZOLANTIDINE Enter ChEMBL ID:
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Basic Information
| ChEMBL ID | CHEMBL419296 |
| Name | ZOLANTIDINE |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | KUBONGDXTUOOLM-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
11
Publications
1
Known Names
Molecular Properties
381.6
MW (Da)
5.16
ALogP
5
HBA
1
HBD
37.4
PSA (Ų)
0.55
QED
1
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 4.12
Target Activity Profile
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| ADMET | IC50 | = | 75000.0 | nM | 4.12 | Cytotoxicity activity against human HAEC cells after 24 hrs | 20547797 |
| HepG2 | IC50 | = | 76000.0 | nM | 4.12 | Cytotoxicity activity against human HepG2 cells after 24 hrs | 20547797 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 2894467 | 10.1021/jm00398a028 | Rattus norvegicus | 3 |
| - | 10.1007/s00044-004-0012-z | Rattus norvegicus | 2 |
| - | 10.6019/CHEMBL4808148 | Histone deacetylase 6 | 2 |
| 2894467 | 10.1021/jm00398a028 | Histamine H2 receptor | 1 |
| 2894467 | 10.1021/jm00398a028 | ADMET | 1 |
| 2894467 | 10.1021/jm00398a028 | No relevant target | 1 |
| 8941388 | 10.1021/jm960163r | ADMET | 1 |
| 10841799 | 10.1021/jm990968+ | Mus musculus | 1 |
| - | 10.1016/S0960-894X(01)80274-2 | ADMET | 1 |
| 20547797 | 10.1128/aac.00431-10 | ADMET | 1 |
| 20547797 | 10.1128/aac.00431-10 | HepG2 | 1 |
Data from ChEMBL 36 via Core Engine