Compound Detail
CHEMBL1080623
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Basic Information
| ChEMBL ID | CHEMBL1080623 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | FSFWMJBQLWFXSM-UHFFFAOYSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
15
Publications
0
Known Names
Molecular Properties
189.6
MW (Da)
1.34
ALogP
4
HBA
0
HBD
61.0
PSA (Ų)
0.41
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 8.22
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Trichomonas vaginalis CHEMBL612884 | IC50 | 8.22 | 7.42 | 6.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Trichomonas vaginalis | IC50 | = | 6.0 | nM | 8.22 | Anti-trichomonas activity against Trichomonas vaginalis JT incubated for 48 hrs ... | 33234343 |
| Trichomonas vaginalis | IC50 | = | 240.0 | nM | 6.62 | Anti-trichomonas activity against Trichomonas vaginalis CDC 085 incubated for 48... | 33234343 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 33234343 | 10.1016/j.ejmech.2020.112994 | Trichomonas vaginalis | 4 |
| 25969 | 10.1021/jm00202a012 | No relevant target | 2 |
| 19906466 | 10.1016/j.ejmech.2009.10.021 | Spermatozoa | 1 |
| 19906466 | 10.1016/j.ejmech.2009.10.021 | Trichomonas vaginalis | 1 |
| 19906466 | 10.1016/j.ejmech.2009.10.021 | Candida albicans | 1 |
| 19906466 | 10.1016/j.ejmech.2009.10.021 | Cryptococcus neoformans | 1 |
| 19906466 | 10.1016/j.ejmech.2009.10.021 | Sporothrix schenckii | 1 |
| 19906466 | 10.1016/j.ejmech.2009.10.021 | Trichophyton mentagrophytes | 1 |
| 19906466 | 10.1016/j.ejmech.2009.10.021 | Aspergillus fumigatus | 1 |
| 19906466 | 10.1016/j.ejmech.2009.10.021 | Candida parapsilosis | 1 |
| 25969 | 10.1021/jm00202a012 | NON-PROTEIN TARGET | 1 |
| 25969 | 10.1021/jm00202a012 | Trichomonas vaginalis | 1 |
| 30554970 | 10.1016/j.bmc.2018.12.003 | A549 | 1 |
| 30554970 | 10.1016/j.bmc.2018.12.003 | HT-29 | 1 |
| 30554970 | 10.1016/j.bmc.2018.12.003 | MCF7 | 1 |
Data from ChEMBL 36 via Core Engine