Compound Detail
CHEMBL1429848
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Basic Information
| ChEMBL ID | CHEMBL1429848 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | WXCVPMGPMMEPBB-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
11
Publications
0
Known Names
Molecular Properties
223.2
MW (Da)
2.40
ALogP
4
HBA
1
HBD
58.9
PSA (Ų)
0.69
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 4.89
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| H9c2 CHEMBL614576 | IC50 | 4.89 | 4.89 | 12771.0 | 1 |
| Toxoplasma gondii CHEMBL612888 | IC50 | 4.03 | 4.03 | 94000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| H9c2 | IC50 | = | 12771.0 | nM | 4.89 | PUBCHEM_BIOASSAY: Dose response confirmation of uHTS hits for small molecule mod... | - |
| Toxoplasma gondii | IC50 | = | 94000.0 | nM | 4.03 | Antiparasitic activity against tachyzoite stage of Toxoplasma gondii expressing ... | 29598911 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 28259840 | 10.1016/j.ejmech.2017.02.032 | Cytochrome P450 1A1 | 3 |
| 28259840 | 10.1016/j.ejmech.2017.02.032 | Cytochrome P450 1B1 | 3 |
| 29598911 | 10.1016/j.bmcl.2018.03.036 | Toxoplasma gondii | 2 |
| 28259840 | 10.1016/j.ejmech.2017.02.032 | Cytochrome P450 1A2 | 1 |
| 28259840 | 10.1016/j.ejmech.2017.02.032 | Cytochrome P450 2D6 | 1 |
| 28259840 | 10.1016/j.ejmech.2017.02.032 | Cytochrome P450 3A4 | 1 |
| 28259840 | 10.1016/j.ejmech.2017.02.032 | Cytochrome P450 2C9 | 1 |
| 28259840 | 10.1016/j.ejmech.2017.02.032 | Cytochrome P450 2C19 | 1 |
| 29598911 | 10.1016/j.bmcl.2018.03.036 | HFF | 1 |
| 29598911 | 10.1016/j.bmcl.2018.03.036 | ADMET | 1 |
| 30665142 | 10.1016/j.ejmech.2019.01.011 | Cyclin-dependent kinase 4/cyclin D1 | 1 |
Data from ChEMBL 36 via Core Engine