Compound Detail
CHEMBL2070075
Enter ChEMBL ID:
Free Research Context
This compound will appear in recent viewed items on the research home for this browser.
Research home
View demo workspace
Basic Information
| ChEMBL ID | CHEMBL2070075 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | KEIKAKXWVRQTMW-UHFFFAOYSA-N |
| Parent Compound | CHEMBL2079355 |
| Active Moiety | CHEMBL2079355 |
5
Targets
6
Activities
2
Assay Types
0
PK Parameters
11
Publications
0
Known Names
Molecular Properties
402.5
MW (Da)
3.89
ALogP
7
HBA
1
HBD
82.1
PSA (Ų)
0.56
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 5 meas. best 8.62
EC50 1 meas. best 7.3
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | IC50 | 8.62 | 7.1 | 2.4 | 2 |
| Toxoplasma gondii CHEMBL612888 | EC50 | 7.3 | 7.3 | 50.0 | 1 |
| Tyrosine-protein kinase Lck CHEMBL258 | IC50 | 6.92 | 6.92 | 120.0 | 1 |
| Proto-oncogene tyrosine-protein kinase Src CHEMBL267 | IC50 | 5.25 | 5.25 | 5600.0 | 1 |
| Tyrosine-protein kinase CSK CHEMBL2634 | IC50 | 5.0 | 5.0 | 10000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | IC50 | = | 2.4 | nM | 8.62 | Inhibition of Toxoplasma gondii CDPK1 using syntide-2 peptide as substrate after... | 22320388 |
| Toxoplasma gondii | EC50 | = | 50.0 | nM | 7.3 | Antiparasitic activity against Toxoplasma gondii grown on human fibroblast layer... | 22320388 |
| Tyrosine-protein kinase Lck | IC50 | = | 120.0 | nM | 6.92 | Inhibition of human LCK using Ac-EIYGEFKKK-OH as substrate after 60 mins | 22320388 |
| Unchecked | IC50 | = | 2600.0 | nM | 5.58 | Inhibition of Toxoplasma gondii CDPK1 Gly128Met mutant using syntide-2 peptide a... | 22320388 |
| Proto-oncogene tyrosine-protein kinase Src | IC50 | = | 5600.0 | nM | 5.25 | Inhibition of human SRC using Ac-EIYGEFKKK-OH as substrate after 60 mins by phos... | 22320388 |
| Tyrosine-protein kinase CSK | IC50 | = | 10000.0 | nM | 5.0 | Inhibition of human CSK using Ac-KKKKEEIYFFF-OH as substrate after 180 mins | 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 | Tyrosine-protein kinase ABL1 | 1 |
| 22320388 | 10.1021/jm201713h | Tyrosine-protein kinase Lck | 1 |
| 22320388 | 10.1021/jm201713h | Mitogen-activated protein kinase 14 | 1 |
| 22320388 | 10.1021/jm201713h | Ephrin type-A receptor 3 | 1 |
| 22320388 | 10.1021/jm201713h | Tyrosine-protein kinase CSK | 1 |
| 22320388 | 10.1021/jm201713h | Epidermal growth factor receptor | 1 |
| 22320388 | 10.1021/jm201713h | HL-60 | 1 |
| 22320388 | 10.1021/jm201713h | ADMET | 1 |
| 22320388 | 10.1021/jm201713h | Toxoplasma gondii | 1 |
Data from ChEMBL 36 via Core Engine