Compound Detail
CHEMBL1945275
N'-(4-DIMETHYLAMINOBENZYLIDENE)ISONICOTINOHYDRAZIDE Enter ChEMBL ID:
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Basic Information
| ChEMBL ID | CHEMBL1945275 |
| Name | N'-(4-DIMETHYLAMINOBENZYLIDENE)ISONICOTINOHYDRAZIDE |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | MSHOEHQTHKGVOD-GZTJUZNOSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
8
Publications
0
Known Names
Molecular Properties
268.3
MW (Da)
1.91
ALogP
4
HBA
1
HBD
57.6
PSA (Ų)
0.68
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 5.85
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | IC50 | 5.85 | 5.85 | 1400.0 | 1 |
| Myeloperoxidase CHEMBL2439 | IC50 | 5.79 | 5.79 | 1620.0 | 1 |
| Entamoeba histolytica CHEMBL612853 | IC50 | 5.26 | 5.26 | 5550.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | IC50 | = | 1400.0 | nM | 5.85 | Inhibition of rat bone marrow myeloperoxidase using H2O2 as substrate after 20 m... | 32278712 |
| Myeloperoxidase | IC50 | = | 1620.0 | nM | 5.79 | Inhibition of human MPO | 28197313 |
| Entamoeba histolytica | IC50 | = | 5550.0 | nM | 5.26 | Antiameobic activity against Entamoeba histolytica HM-1:IMSS after 72 hrs using ... | 22309914 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| - | 10.1007/s00044-011-9739-5 | Mus musculus | 6 |
| 28197313 | 10.1021/acsmedchemlett.6b00417 | Myeloperoxidase | 4 |
| 32278712 | 10.1016/j.bmc.2020.115470 | Unchecked | 2 |
| 32278712 | 10.1016/j.bmc.2020.115470 | No relevant target | 2 |
| 22309914 | 10.1016/j.ejmech.2012.01.030 | Entamoeba histolytica | 1 |
| 22309914 | 10.1016/j.ejmech.2012.01.030 | MCF7 | 1 |
| 28302506 | 10.1016/j.bmc.2017.02.044 | Xanthine dehydrogenase/oxidase | 1 |
| 32278712 | 10.1016/j.bmc.2020.115470 | Acetylcholinesterase | 1 |
Data from ChEMBL 36 via Core Engine