Compound Detail
CHEMBL2070088
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Basic Information
| ChEMBL ID | CHEMBL2070088 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | RAASPUYAALFEMM-UHFFFAOYSA-N |
| Parent Compound | CHEMBL2078797 |
| Active Moiety | CHEMBL2078797 |
3
Targets
4
Activities
2
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
458.6
MW (Da)
5.14
ALogP
7
HBA
1
HBD
82.1
PSA (Ų)
0.39
QED
1
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 8.52
EC50 1 meas. best 6.75
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | IC50 | 8.52 | 7.03 | 3.0 | 2 |
| Toxoplasma gondii CHEMBL612888 | EC50 | 6.75 | 6.75 | 180.0 | 1 |
| Proto-oncogene tyrosine-protein kinase Src CHEMBL267 | IC50 | 5.17 | 5.17 | 6700.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | IC50 | = | 3.0 | nM | 8.52 | Inhibition of Toxoplasma gondii CDPK1 using syntide-2 peptide as substrate after... | 22320388 |
| Toxoplasma gondii | EC50 | = | 180.0 | nM | 6.75 | Antiparasitic activity against Toxoplasma gondii grown on human fibroblast layer... | 22320388 |
| Unchecked | IC50 | = | 2900.0 | nM | 5.54 | Inhibition of Toxoplasma gondii CDPK1 Gly128Met mutant using syntide-2 peptide a... | 22320388 |
| Proto-oncogene tyrosine-protein kinase Src | IC50 | = | 6700.0 | nM | 5.17 | 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