Compound Detail
CHEMBL2386626
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Basic Information
| ChEMBL ID | CHEMBL2386626 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | CRCKNDMRYHWSFU-MXWKQRLJSA-N |
1
Targets
2
Activities
2
Assay Types
1
PK Parameters
3
Publications
0
Known Names
Molecular Properties
300.4
MW (Da)
2.44
ALogP
5
HBA
3
HBD
87.0
PSA (Ų)
0.68
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 6.42
Ki 1 meas. best 7.92
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Tyrosine-protein kinase JAK1 CHEMBL2835 | Ki | 7.92 | 7.92 | 12.0 | 1 |
| Tyrosine-protein kinase JAK1 CHEMBL2835 | EC50 | 6.42 | 6.42 | 380.0 | 1 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| CL | 2.1 | mL.min-1.kg-1 | Homo sapiens |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Tyrosine-protein kinase JAK1 | Ki | = | 12.0 | nM | 7.92 | Inhibition of recombinant JAK1 (unknown origin) using Val-Ala-Leu-Val-Asp-Gly-Ty... | 23659214 |
| Tyrosine-protein kinase JAK1 | EC50 | = | 380.0 | nM | 6.42 | Inhibition of JAK1 in human TF1 cells assessed as inhibition of IL6-induced STAT... | 23659214 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 23659214 | 10.1021/jm4004895 | Unchecked | 2 |
| 23659214 | 10.1021/jm4004895 | Tyrosine-protein kinase JAK1 | 2 |
| 23659214 | 10.1021/jm4004895 | Liver microsomes | 1 |
Data from ChEMBL 36 via Core Engine