Compound Detail
CHEMBL349148
2-Bromo-1,4-naphthoquinone Enter ChEMBL ID:
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Basic Information
| ChEMBL ID | CHEMBL349148 |
| Name | 2-Bromo-1,4-naphthoquinone |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | KJOHPBJYGGFYBJ-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
13
Publications
0
Known Names
Molecular Properties
237.1
MW (Da)
2.34
ALogP
2
HBA
0
HBD
34.1
PSA (Ų)
0.69
QED
0
Ro5 Violations
0
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 5.86
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Trypanosoma cruzi CHEMBL368 | IC50 | 5.86 | 5.86 | 1370.0 | 1 |
| Unchecked CHEMBL612545 | IC50 | 5.38 | 5.38 | 4200.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Trypanosoma cruzi | IC50 | = | 1370.0 | nM | 5.86 | Antitrypanosomal activity against bloodstream forms of Trypanosoma cruzi Y isola... | 28521262 |
| Unchecked | IC50 | = | 4200.0 | nM | 5.38 | Inhibition of human rhinovirus 14 recombinant N-terminal GST-tagged protease 3c ... | 22763202 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| - | 10.1016/j.cropro.2011.09.009 | Trichoplusia ni | 3 |
| 30108843 | 10.1039/C7MD00090A | Beta-carbonic anhydrase 1 | 2 |
| 30108843 | 10.1039/C7MD00090A | Carbonic anhydrase 2 | 2 |
| 10853649 | 10.1016/s0960-894x(00)00112-8 | THP-1 | 1 |
| 8576915 | 10.1021/jm9405147 | ADMET | 1 |
| 8576915 | 10.1021/jm9405147 | No relevant target | 1 |
| 17532221 | 10.1016/j.bmc.2007.04.068 | Papain | 1 |
| 17532221 | 10.1016/j.bmc.2007.04.068 | Pancreatic elastase | 1 |
| 22483633 | 10.1016/j.ejmech.2012.03.039 | Trypanosoma cruzi | 1 |
| 22763202 | 10.1016/j.bmcl.2012.06.015 | Unchecked | 1 |
| 28521262 | 10.1016/j.ejmech.2017.05.011 | Trypanosoma cruzi | 1 |
| 33992862 | 10.1016/j.bmc.2021.116213 | Cruzipain | 1 |
| 33992862 | 10.1016/j.bmc.2021.116213 | Rhodesain | 1 |
Data from ChEMBL 36 via Core Engine