Compound Detail
CHEMBL4583672
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Basic Information
| ChEMBL ID | CHEMBL4583672 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | WOAWRPMGRCGNEB-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
8
Publications
0
Known Names
Molecular Properties
336.8
MW (Da)
4.49
ALogP
5
HBA
3
HBD
78.5
PSA (Ų)
0.51
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 5.01
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| HEL CHEMBL613888 | IC50 | 5.01 | 5.01 | 9710.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| HEL | IC50 | = | 9710.0 | nM | 5.01 | Antiproliferative activity against HEL cells harboring JAK2 V617F mutant after 4... | 27774135 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 27774135 | 10.1021/acsmedchemlett.6b00247 | HEL | 2 |
| 27774135 | 10.1021/acsmedchemlett.6b00247 | Tyrosine-protein kinase JAK2 | 1 |
| 27774135 | 10.1021/acsmedchemlett.6b00247 | Tyrosine-protein kinase JAK1 | 1 |
| 27774135 | 10.1021/acsmedchemlett.6b00247 | Tyrosine-protein kinase JAK3 | 1 |
| 27774135 | 10.1021/acsmedchemlett.6b00247 | PC-3 | 1 |
| 27774135 | 10.1021/acsmedchemlett.6b00247 | MCF7 | 1 |
| 27774135 | 10.1021/acsmedchemlett.6b00247 | K562 | 1 |
| 27774135 | 10.1021/acsmedchemlett.6b00247 | MOLT-4 | 1 |
Data from ChEMBL 36 via Core Engine