Compound Detail
CHEMBL4537769
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Basic Information
| ChEMBL ID | CHEMBL4537769 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | VDPHYTKFUFZVHE-UHFFFAOYSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
8
Publications
0
Known Names
Molecular Properties
286.7
MW (Da)
3.34
ALogP
5
HBA
3
HBD
78.5
PSA (Ų)
0.69
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 5.44
Target Activity Profile
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| MCF7 | IC50 | = | 3660.0 | nM | 5.44 | Antiproliferative activity against human MCF7 cells after 48 hrs by MTT assay | 27774135 |
| PC-3 | IC50 | = | 5380.0 | nM | 5.27 | Antiproliferative activity against human PC3 cells after 48 hrs by MTT assay | 27774135 |
| HEL | IC50 | = | 5930.0 | nM | 5.23 | 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 JAK3 | 1 |
| 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 | 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