Compound Detail
CHEMBL2078794
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Basic Information
| ChEMBL ID | CHEMBL2078794 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | MVIHEGXCXLFEMC-UHFFFAOYSA-N |
3
Targets
5
Activities
1
Assay Types
0
PK Parameters
15
Publications
0
Known Names
Molecular Properties
267.3
MW (Da)
2.83
ALogP
5
HBA
1
HBD
69.6
PSA (Ų)
0.74
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 5 meas. best 6.89
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Proto-oncogene tyrosine-protein kinase Src CHEMBL267 | IC50 | 6.89 | 6.89 | 129.0 | 2 |
| Tyrosine-protein kinase ABL1 CHEMBL1862 | IC50 | 6.2 | 6.2 | 636.0 | 2 |
| Toxoplasma gondii CHEMBL612888 | IC50 | 5.96 | 5.96 | 1100.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Proto-oncogene tyrosine-protein kinase Src | IC50 | = | 129.0 | nM | 6.89 | Inhibition Assay: Inhibition of human tyrosine kinases. | - |
| Proto-oncogene tyrosine-protein kinase Src | IC50 | = | 129.0 | nM | 6.89 | luminescent kinase assay: Inhibition of TgCDPK1 and CpCDPK1 was determined using... | - |
| Tyrosine-protein kinase ABL1 | IC50 | = | 636.0 | nM | 6.2 | Inhibition Assay: Inhibition of human tyrosine kinases. | - |
| Tyrosine-protein kinase ABL1 | IC50 | = | 636.0 | nM | 6.2 | luminescent kinase assay: Inhibition of TgCDPK1 and CpCDPK1 was determined using... | - |
| Toxoplasma gondii | IC50 | = | 1100.0 | nM | 5.96 | AntiToxoplasma gondii activity data 2-day killing assay: IC50 (uM), Experiment F | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| - | 10.6019/CHEMBL3832761 | Toxoplasma gondii | 5 |
| 33476933 | 10.1016/j.ejmech.2020.113148 | Transitional endoplasmic reticulum ATPase | 2 |
| 33476933 | 10.1016/j.ejmech.2020.113148 | Unchecked | 2 |
| 38157838 | 10.1016/j.bmc.2023.117561 | Unchecked | 2 |
| - | 10.6019/CHEMBL3832761 | NON-PROTEIN TARGET | 1 |
| - | 10.6019/CHEMBL3987221 | Ferrochelatase, mitochondrial | 1 |
| - | 10.6019/CHEMBL3987221 | Porphobilinogen deaminase | 1 |
| - | 10.6019/CHEMBL4513101 | Naegleria gruberi | 1 |
| - | 10.6019/CHEMBL4513149 | Candida albicans | 1 |
| - | 10.6019/CHEMBL4513149 | Cryptococcus neoformans | 1 |
| - | 10.6019/CHEMBL4513149 | Escherichia coli | 1 |
| - | 10.6019/CHEMBL4513149 | Klebsiella pneumoniae | 1 |
| - | 10.6019/CHEMBL4513149 | Pseudomonas aeruginosa | 1 |
| - | 10.6019/CHEMBL4513149 | Acinetobacter baumannii | 1 |
| - | 10.6019/CHEMBL4513149 | Staphylococcus aureus | 1 |
Data from ChEMBL 36 via Core Engine