Compound Detail
CHEMBL2152401
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Basic Information
| ChEMBL ID | CHEMBL2152401 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ACNVABWWXNLKFC-UHFFFAOYSA-N |
1
Targets
4
Activities
2
Assay Types
2
PK Parameters
9
Publications
0
Known Names
Molecular Properties
294.4
MW (Da)
2.46
ALogP
5
HBA
1
HBD
73.5
PSA (Ų)
0.80
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 2 meas. best 7.37
Ki 2 meas. best 9.22
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Tyrosine-protein kinase JAK1 CHEMBL2835 | Ki | 9.22 | 9.22 | 0.6 | 2 |
| Tyrosine-protein kinase JAK1 CHEMBL2835 | EC50 | 7.37 | 7.37 | 43.0 | 2 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| T1/2 | 7.5 | hr | Homo sapiens |
| T1/2 | 10.0 | hr | Rattus norvegicus |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Tyrosine-protein kinase JAK1 | Ki | = | 0.6 | nM | 9.22 | Inhibition of JAK1 | 22591402 |
| Tyrosine-protein kinase JAK1 | Ki | = | 0.6 | nM | 9.22 | Inhibition of JAK1 kinase domain assessed as phosphorylation of N-terminal 5-car... | 23107482 |
| Tyrosine-protein kinase JAK1 | EC50 | = | 43.0 | nM | 7.37 | Inhibition of JAK1 in human TF1 cells assessed as inhibition of IL2-induced STAT... | 22591402 |
| Tyrosine-protein kinase JAK1 | EC50 | = | 43.0 | nM | 7.37 | Inhibition of JAK1 in human TF1 cells assessed as inhibition of IL6-induced STAT... | 23107482 |
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 |
| 23107482 | 10.1016/j.bmcl.2012.10.008 | Tyrosine-protein kinase JAK1 | 2 |
| 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 |
| 23107482 | 10.1016/j.bmcl.2012.10.008 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine