Compound Detail
CHEMBL4287960
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Basic Information
| ChEMBL ID | CHEMBL4287960 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | VPLWPAJBSUKCFN-UHFFFAOYSA-N |
5
Targets
5
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
536.1
MW (Da)
5.07
ALogP
8
HBA
3
HBD
94.7
PSA (Ų)
0.23
QED
2
Ro5 Violations
11
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 5 meas. best 7.09
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Tyrosine-protein kinase BTK CHEMBL5251 | IC50 | 7.09 | 7.09 | 81.7 | 1 |
| Tyrosine-protein kinase JAK3 CHEMBL2148 | IC50 | 7.04 | 7.04 | 91.2 | 1 |
| Ramos CHEMBL614629 | IC50 | 4.65 | 4.65 | 22610.0 | 1 |
| NAMALVA CHEMBL614049 | IC50 | 4.61 | 4.61 | 24640.0 | 1 |
| Raji CHEMBL614628 | IC50 | 4.6 | 4.6 | 25000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Tyrosine-protein kinase BTK | IC50 | = | 81.7 | nM | 7.09 | Inhibition of recombinant full-length N-terminal His-tagged human BTK expressed ... | 29146136 |
| Tyrosine-protein kinase JAK3 | IC50 | = | 91.15 | nM | 7.04 | Inhibition of recombinant N-terminal GST-tagged human JAK3 (781 to end residues)... | 29146136 |
| Ramos | IC50 | = | 22610.0 | nM | 4.65 | Antiproliferative activity against human Ramos cells after 72 hrs by CCK-8 assay | 29146136 |
| NAMALVA | IC50 | = | 24640.0 | nM | 4.61 | Antiproliferative activity against human NAMALWA cells after 72 hrs by CCK-8 ass... | 29146136 |
| Raji | IC50 | = | 25000.0 | nM | 4.6 | Antiproliferative activity against human Raji cells after 72 hrs by CCK-8 assay | 29146136 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 29146136 | 10.1016/j.ejmech.2017.10.080 | Tyrosine-protein kinase BTK | 1 |
| 29146136 | 10.1016/j.ejmech.2017.10.080 | Tyrosine-protein kinase JAK3 | 1 |
| 29146136 | 10.1016/j.ejmech.2017.10.080 | Ramos | 1 |
| 29146136 | 10.1016/j.ejmech.2017.10.080 | Raji | 1 |
| 29146136 | 10.1016/j.ejmech.2017.10.080 | NAMALVA | 1 |
Data from ChEMBL 36 via Core Engine