Compound Detail
CHEMBL164449
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Basic Information
| ChEMBL ID | CHEMBL164449 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | NDDZXHOCOKCNBM-UHFFFAOYSA-N |
1
Targets
2
Activities
2
Assay Types
0
PK Parameters
8
Publications
0
Known Names
Molecular Properties
174.2
MW (Da)
2.14
ALogP
3
HBA
0
HBD
56.0
PSA (Ų)
0.49
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 5.3
Ki 1 meas.
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Toxoplasma gondii CHEMBL612888 | IC50 | 5.3 | 5.3 | 5000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Toxoplasma gondii | IC50 | = | 5000.0 | nM | 5.3 | Antiparasitic activity against Toxoplasma gondii after 4 days by chlorophenol re... | 28242275 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 1995902 | 10.1021/jm00106a046 | Salmonella typhimurium | 1 |
| 1995902 | 10.1021/jm00106a046 | No relevant target | 1 |
| 22608675 | 10.1016/j.ejmech.2012.04.029 | Leishmania donovani | 1 |
| 22608675 | 10.1016/j.ejmech.2012.04.029 | J774.A1 | 1 |
| 22608675 | 10.1016/j.ejmech.2012.04.029 | HepG2 | 1 |
| 25462220 | 10.1016/j.ejmech.2014.10.026 | Mycobacterium tuberculosis | 1 |
| 28242275 | 10.1016/j.bmcl.2017.01.046 | Toxoplasma gondii | 1 |
| 26908025 | 10.1021/acs.jmedchem.5b01813 | cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A | 1 |
Data from ChEMBL 36 via Core Engine