Compound Detail
CHEMBL3114400
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Basic Information
| ChEMBL ID | CHEMBL3114400 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | RRFKBXJQFBLCHO-UHFFFAOYSA-N |
2
Targets
4
Activities
1
Assay Types
0
PK Parameters
6
Publications
0
Known Names
Molecular Properties
203.2
MW (Da)
1.23
ALogP
6
HBA
1
HBD
94.4
PSA (Ų)
0.58
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 8.0
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Giardia intestinalis CHEMBL612652 | IC50 | 8.0 | 8.0 | 10.0 | 2 |
| Trichomonas vaginalis CHEMBL612884 | IC50 | 7.09 | 7.045 | 81.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Giardia intestinalis | IC50 | = | 10.0 | nM | 8.0 | Antimicrobial activity against Giardia intestinalis IMSS:0696:1 incubated for 48... | 24529307 |
| Giardia intestinalis | IC50 | = | 10.0 | nM | 8.0 | Antimicrobial activity against Giardia intestinalis IMSS:0696:1 incubated for 48... | 24529307 |
| Trichomonas vaginalis | IC50 | = | 81.0 | nM | 7.09 | Antimicrobial activity against Trichomonas vaginalis GT3 incubated for 48 hrs fo... | 24529307 |
| Trichomonas vaginalis | IC50 | = | 100.0 | nM | 7.0 | Antimicrobial activity against Trichomonas vaginalis GT3 incubated for 48 hrs fo... | 24529307 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 24529307 | 10.1016/j.bmc.2014.01.029 | Trichomonas vaginalis | 3 |
| 24529307 | 10.1016/j.bmc.2014.01.029 | Giardia intestinalis | 3 |
| 24529307 | 10.1016/j.bmc.2014.01.029 | Unchecked | 2 |
| 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 |
Data from ChEMBL 36 via Core Engine