Compound Detail
CHEMBL5170161
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Basic Information
| ChEMBL ID | CHEMBL5170161 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | PUWKGIFUJCSXAR-UHFFFAOYSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
395.4
MW (Da)
4.18
ALogP
7
HBA
3
HBD
105.1
PSA (Ų)
0.45
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 8.05
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| JAK3/JAK1 CHEMBL3038491 | IC50 | 8.05 | 8.05 | 9.0 | 1 |
| Tyrosine-protein kinase JAK2 CHEMBL2971 | IC50 | 6.77 | 6.77 | 170.0 | 1 |
| Cytochrome P450 3A4 CHEMBL340 | IC50 | 5.1 | 5.1 | 8000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| JAK3/JAK1 | IC50 | = | 9.0 | nM | 8.05 | Inhibition of JAK1/JAK3 in human primary T-cells assessed as reduction of IL-2 s... | 36385926 |
| Tyrosine-protein kinase JAK2 | IC50 | = | 170.0 | nM | 6.77 | Inhibition of JAK2 signaling pathway in human CHEP cells assessed as inhibition ... | 36385926 |
| Cytochrome P450 3A4 | IC50 | = | 8000.0 | nM | 5.1 | Inhibition of CYP3A4 (unknown origin) in presence of NADPH | 36385926 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 36385926 | 10.1021/acsmedchemlett.2c00411 | Cytochrome P450 3A4 | 2 |
| 36385926 | 10.1021/acsmedchemlett.2c00411 | JAK3/JAK1 | 1 |
| 36385926 | 10.1021/acsmedchemlett.2c00411 | Tyrosine-protein kinase JAK2 | 1 |
| 36385926 | 10.1021/acsmedchemlett.2c00411 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine