Compound Detail
CHEMBL2032002
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Basic Information
| ChEMBL ID | CHEMBL2032002 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ZGYYPTJWJBEXBC-GQTRHBFLSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
269.2
MW (Da)
-1.00
ALogP
8
HBA
3
HBD
119.3
PSA (Ų)
0.64
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 7.05
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Trichomonas vaginalis CHEMBL612884 | IC50 | 7.05 | 5.525 | 90.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Trichomonas vaginalis | IC50 | = | 90.0 | nM | 7.05 | Growth inhibition of Trichomonas vaginalis T1 after 24 hrs by hemocytometry | 22579483 |
| Trichomonas vaginalis | IC50 | = | 100000.0 | nM | 4.0 | Growth inhibition of mtronidazole-resistant Trichomonas vaginalis after 24 hrs b... | 22579483 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 22579483 | 10.1016/j.bmcl.2012.03.087 | Trichomonas vaginalis | 3 |
| 29174506 | 10.1016/j.bmc.2017.11.022 | cGMP-dependent 3',5'-cyclic phosphodiesterase | 2 |
| 22579483 | 10.1016/j.bmcl.2012.03.087 | CHO-K1 | 1 |
Data from ChEMBL 36 via Core Engine