Compound Detail
CHEMBL2069944
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Basic Information
| ChEMBL ID | CHEMBL2069944 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | BHTRMJGWVSFYPQ-UHFFFAOYSA-N |
| Parent Compound | CHEMBL2079213 |
| Active Moiety | CHEMBL2079213 |
3
Targets
3
Activities
2
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
311.4
MW (Da)
3.15
ALogP
6
HBA
1
HBD
78.8
PSA (Ų)
0.79
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 8.39
EC50 1 meas. best 8.52
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Toxoplasma gondii CHEMBL612888 | EC50 | 8.52 | 8.52 | 3.0 | 1 |
| Unchecked CHEMBL612545 | IC50 | 8.39 | 8.39 | 4.1 | 1 |
| Proto-oncogene tyrosine-protein kinase Src CHEMBL267 | IC50 | 6.75 | 6.75 | 180.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Toxoplasma gondii | EC50 | = | 3.0 | nM | 8.52 | Antiparasitic activity against Toxoplasma gondii grown on human fibroblast layer... | 22320388 |
| Unchecked | IC50 | = | 4.1 | nM | 8.39 | Inhibition of Toxoplasma gondii CDPK1 using syntide-2 peptide as substrate after... | 22320388 |
| Proto-oncogene tyrosine-protein kinase Src | IC50 | = | 180.0 | nM | 6.75 | Inhibition of human SRC using Ac-EIYGEFKKK-OH as substrate after 60 mins by phos... | 22320388 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 22320388 | 10.1021/jm201713h | Unchecked | 2 |
| 22320388 | 10.1021/jm201713h | Proto-oncogene tyrosine-protein kinase Src | 1 |
| 22320388 | 10.1021/jm201713h | Toxoplasma gondii | 1 |
Data from ChEMBL 36 via Core Engine