Compound Detail
CHEMBL5416354
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C=CC(=O)Nc1cc(CNc2nc(Nc3ccc(N4CCN(C)CC4)c(OC)c3)c(C(N)=O)c3nccn23)ccc1Cl
Basic Information
| ChEMBL ID | CHEMBL5416354 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | AYZVUGQJVYMELX-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
590.1
MW (Da)
3.72
ALogP
10
HBA
4
HBD
142.2
PSA (Ų)
0.20
QED
1
Ro5 Violations
10
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 8.34
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Tyrosine-protein kinase ZAP-70 CHEMBL2803 | IC50 | 8.34 | 8.34 | 4.6 | 1 |
| Tyrosine-protein kinase SYK CHEMBL2599 | IC50 | 6.27 | 6.27 | 532.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Tyrosine-protein kinase ZAP-70 | IC50 | = | 4.6 | nM | 8.34 | Inhibition of ZAP-70 (unknown origin) using ULight-TK peptide as substrate incub... | 37594408 |
| Tyrosine-protein kinase SYK | IC50 | = | 532.0 | nM | 6.27 | Inhibition of SYK (unknown origin) using ULight-TK peptide as substrate incubate... | 37594408 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 37594408 | 10.1021/acs.jmedchem.3c00606 | Tyrosine-protein kinase SYK | 2 |
| 37594408 | 10.1021/acs.jmedchem.3c00606 | Tyrosine-protein kinase ZAP-70 | 2 |
| 37594408 | 10.1021/acs.jmedchem.3c00606 | Splenocyte | 1 |
Data from ChEMBL 36 via Core Engine