Compound Detail
CHEMBL2152305
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Basic Information
| ChEMBL ID | CHEMBL2152305 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | WKWXJWGOAKGEEM-UHFFFAOYSA-N |
4
Targets
5
Activities
2
Assay Types
2
PK Parameters
10
Publications
0
Known Names
Molecular Properties
331.4
MW (Da)
3.75
ALogP
4
HBA
1
HBD
49.7
PSA (Ų)
0.62
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 4 meas. best 8.62
EC50 1 meas. best 7.07
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Tyrosine-protein kinase JAK1 CHEMBL2835 | Ki | 8.62 | 8.62 | 2.4 | 1 |
| Tyrosine-protein kinase JAK2 CHEMBL2971 | Ki | 8.36 | 8.36 | 4.4 | 1 |
| Tyrosine-protein kinase JAK3 CHEMBL2148 | Ki | 7.48 | 7.48 | 33.0 | 1 |
| Tyrosine-protein kinase JAK1 CHEMBL2835 | EC50 | 7.07 | 7.07 | 86.0 | 1 |
| Non-receptor tyrosine-protein kinase TYK2 CHEMBL3553 | Ki | 7.07 | 7.07 | 85.0 | 1 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| T1/2 | 0.8 | hr | Homo sapiens |
| T1/2 | 0.5 | hr | Rattus norvegicus |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Tyrosine-protein kinase JAK1 | Ki | = | 2.4 | nM | 8.62 | Inhibition of JAK1 | 22591402 |
| Tyrosine-protein kinase JAK2 | Ki | = | 4.4 | nM | 8.36 | Inhibition of JAK2 | 22591402 |
| Tyrosine-protein kinase JAK3 | Ki | = | 33.0 | nM | 7.48 | Inhibition of JAK3 | 22591402 |
| Tyrosine-protein kinase JAK1 | EC50 | = | 86.0 | nM | 7.07 | Inhibition of JAK1 in human TF1 cells assessed as inhibition of IL2-induced STAT... | 22591402 |
| Non-receptor tyrosine-protein kinase TYK2 | Ki | = | 85.0 | nM | 7.07 | Inhibition of TYK2 | 22591402 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 22591402 | 10.1021/jm300438j | Rattus norvegicus | 5 |
| 22591402 | 10.1021/jm300438j | Tyrosine-protein kinase JAK1 | 2 |
| 22591402 | 10.1021/jm300438j | Unchecked | 2 |
| 22591402 | 10.1021/jm300438j | Tyrosine-protein kinase JAK2 | 1 |
| 22591402 | 10.1021/jm300438j | Tyrosine-protein kinase JAK3 | 1 |
| 22591402 | 10.1021/jm300438j | Non-receptor tyrosine-protein kinase TYK2 | 1 |
| 22591402 | 10.1021/jm300438j | Liver microsomes | 1 |
| 22591402 | 10.1021/jm300438j | No relevant target | 1 |
| 22591402 | 10.1021/jm300438j | MDCK | 1 |
| 22591402 | 10.1021/jm300438j | Hepatocyte | 1 |
Data from ChEMBL 36 via Core Engine