Compound Detail
CHEMBL380216
DIMINAZENE DIACETURATE Enter ChEMBL ID:
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CC(=O)NCC(=O)O.CC(=O)NCC(=O)O.N=C(N)c1ccc(/N=N/Nc2ccc(C(=N)N)cc2)cc1
Basic Information
| ChEMBL ID | CHEMBL380216 |
| Name | DIMINAZENE DIACETURATE |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | OKQSSSVVBOUMNZ-UHFFFAOYSA-N |
| Parent Compound | CHEMBL35241 |
| Active Moiety | CHEMBL35241 |
2
Targets
6
Activities
2
Assay Types
0
PK Parameters
15
Publications
0
Known Names
Molecular Properties
281.3
MW (Da)
2.37
ALogP
4
HBA
5
HBD
136.5
PSA (Ų)
0.25
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 5 meas. best 7.21
EC50 1 meas. best 7.39
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Trypanosoma brucei brucei CHEMBL612851 | EC50 | 7.39 | 7.39 | 41.0 | 1 |
| Trypanosoma brucei brucei CHEMBL612851 | IC50 | 7.21 | 7.17 | 62.0 | 4 |
| Trypanosoma brucei rhodesiense CHEMBL612348 | IC50 | 5.05 | 5.05 | 8900.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Trypanosoma brucei brucei | EC50 | = | 41.0 | nM | 7.39 | Antitrypanosomal activity against bloodstream form Trypanosoma brucei brucei 427... | 31978782 |
| Trypanosoma brucei brucei | IC50 | = | 62.0 | nM | 7.21 | Antiparasitic activity against bloodstream form of Trypanosoma brucei brucei str... | 30468386 |
| Trypanosoma brucei brucei | IC50 | = | 62.0 | nM | 7.21 | Antiparasitic activity against Trypanosoma brucei brucei BS427 assessed as paras... | 33151678 |
| Trypanosoma brucei brucei | IC50 | = | 63.1 | nM | 7.2 | Antiparasitic activity against bloodstream form of Trypanosoma brucei brucei str... | 30468386 |
| Trypanosoma brucei brucei | IC50 | = | 87.0 | nM | 7.06 | Antitrypanosomal activity against Trypanosoma brucei brucei Lister 427 infected ... | 33479668 |
| Trypanosoma brucei rhodesiense | IC50 | = | 8900.0 | nM | 5.05 | In vitro antitrypanosomal activity against Trypanosoma brucei rhodesiense | 15084128 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 28187957 | 10.1016/j.bmc.2016.11.019 | Trypanosoma brucei brucei | 12 |
| 31978782 | 10.1016/j.ejmech.2020.112043 | Trypanosoma brucei brucei | 6 |
| 29191556 | 10.1016/j.bmcl.2017.10.067 | Trypanosoma brucei brucei | 3 |
| 30468386 | 10.1021/acs.jmedchem.8b01578 | Trypanosoma brucei brucei | 2 |
| - | 10.6019/CHEMBL4495565 | SARS-CoV-2 | 2 |
| 31978782 | 10.1016/j.ejmech.2020.112043 | DNA | 2 |
| 15084128 | 10.1021/jm031024u | Trypanosoma brucei rhodesiense | 1 |
| 16759117 | 10.1021/jm060295c | Trypanosoma brucei | 1 |
| 27992217 | 10.1021/acs.jmedchem.6b01163 | Trypanosoma brucei brucei | 1 |
| - | 10.21203/rs.3.rs-23951/v1 | SARS-CoV-2 | 1 |
| - | 10.6019/CHEMBL4495564 | Replicase polyprotein 1ab | 1 |
| 31978782 | 10.1016/j.ejmech.2020.112043 | Unchecked | 1 |
| 33479668 | 10.1039/d0md00058b | HEK293 | 1 |
| 33479668 | 10.1039/d0md00058b | Trypanosoma brucei brucei | 1 |
| 33151678 | 10.1021/acs.jmedchem.0c01372 | Trypanosoma brucei brucei | 1 |
Data from ChEMBL 36 via Core Engine