Compound Detail
CHEMBL4469360
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Basic Information
| ChEMBL ID | CHEMBL4469360 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | LXWXQRLCBZDGSZ-UHFFFAOYSA-N |
2
Targets
3
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
454.5
MW (Da)
4.04
ALogP
7
HBA
2
HBD
102.5
PSA (Ų)
0.42
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 7.89
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Tyrosine-protein kinase CSK CHEMBL2634 | IC50 | 7.89 | 7.635 | 13.0 | 2 |
| Tyrosine-protein kinase Lck CHEMBL258 | IC50 | 7.38 | 7.38 | 42.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Tyrosine-protein kinase CSK | IC50 | = | 13.0 | nM | 7.89 | Inhibition of CSK (unknown origin) using fluorescent labeled peptide as substrat... | 31620238 |
| Tyrosine-protein kinase CSK | IC50 | = | 42.0 | nM | 7.38 | Inhibition of His-tagged/GST-tagged CSK (unknown origin) incubated for 1 hr by T... | 31620238 |
| Tyrosine-protein kinase Lck | IC50 | = | 42.0 | nM | 7.38 | Inhibition of His-tagged/GST-tagged LCK (unknown origin) incubated for 1 hr by T... | 31620238 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 31620238 | 10.1021/acsmedchemlett.9b00354 | Tyrosine-protein kinase CSK | 2 |
| 31620238 | 10.1021/acsmedchemlett.9b00354 | ADMET | 2 |
| 31620238 | 10.1021/acsmedchemlett.9b00354 | Tyrosine-protein kinase Lck | 1 |
| 31620238 | 10.1021/acsmedchemlett.9b00354 | Tyrosine-protein kinase ZAP-70 | 1 |
Data from ChEMBL 36 via Core Engine