Compound Detail
CHEMBL408049
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Basic Information
| ChEMBL ID | CHEMBL408049 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | MIHADVKEHAFNPG-UHFFFAOYSA-N |
2
Targets
6
Activities
1
Assay Types
0
PK Parameters
13
Publications
0
Known Names
Molecular Properties
145.1
MW (Da)
0.63
ALogP
5
HBA
1
HBD
82.0
PSA (Ų)
0.46
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 6 meas. best 4.56
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Giardia intestinalis CHEMBL612652 | IC50 | 4.56 | 4.54 | 27542.3 | 3 |
| Trichomonas vaginalis CHEMBL612884 | IC50 | 4.28 | 4.2533 | 52850.0 | 3 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Giardia intestinalis | IC50 | = | 27542.29 | nM | 4.56 | Antimicrobial activity against Giardia intestinalis IMSS:0696:1 incubated for 48... | 24529307 |
| Giardia intestinalis | IC50 | = | 29570.0 | nM | 4.53 | Antimicrobial activity against Giardia intestinalis IMSS:0696:1 incubated for 48... | 24529307 |
| Giardia intestinalis | IC50 | = | 29570.0 | nM | 4.53 | Giardicidal activity against Giardia intestinalis IMSS:0696:1 compound treated f... | 25801157 |
| Trichomonas vaginalis | IC50 | = | 52850.0 | nM | 4.28 | Antimicrobial activity against Trichomonas vaginalis GT3 incubated for 48 hrs fo... | 24529307 |
| Trichomonas vaginalis | IC50 | = | 52850.0 | nM | 4.28 | Trichomonicidal activity against Trichomonas vaginalis GT3 compound treated for ... | 25801157 |
| Trichomonas vaginalis | IC50 | = | 63095.73 | nM | 4.2 | Antimicrobial activity against Trichomonas vaginalis GT3 incubated for 48 hrs fo... | 24529307 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 18295489 | 10.1016/j.bmc.2007.11.029 | Rattus norvegicus | 2 |
| 23750537 | 10.1021/jm4001488 | 5'-AMP-activated protein kinase catalytic subunit alpha-2 | 2 |
| 24529307 | 10.1016/j.bmc.2014.01.029 | Trichomonas vaginalis | 2 |
| 24529307 | 10.1016/j.bmc.2014.01.029 | Giardia intestinalis | 2 |
| - | 10.6019/CHEMBL4651402 | SARS-CoV-2 | 2 |
| 23750537 | 10.1021/jm4001488 | Unchecked | 1 |
| 24529307 | 10.1016/j.bmc.2014.01.029 | Vero | 1 |
| 24529307 | 10.1016/j.bmc.2014.01.029 | Trypanosoma cruzi | 1 |
| 24529307 | 10.1016/j.bmc.2014.01.029 | Leishmania amazonensis | 1 |
| 25801157 | 10.1016/j.bmc.2015.02.059 | Giardia intestinalis | 1 |
| 25801157 | 10.1016/j.bmc.2015.02.059 | Trichomonas vaginalis | 1 |
| 25801157 | 10.1016/j.bmc.2015.02.059 | Unchecked | 1 |
| 25801157 | 10.1016/j.bmc.2015.02.059 | Vero | 1 |
Data from ChEMBL 36 via Core Engine