Compound Detail
CHEMBL1835014
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Basic Information
| ChEMBL ID | CHEMBL1835014 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | VYCZGZDYYGZFCM-UHFFFAOYSA-N |
2
Targets
4
Activities
1
Assay Types
1
PK Parameters
5
Publications
0
Known Names
Molecular Properties
272.3
MW (Da)
2.39
ALogP
3
HBA
3
HBD
83.8
PSA (Ų)
0.68
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 6.64
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Tyrosine-protein kinase JAK2 CHEMBL2971 | IC50 | 6.64 | 6.64 | 230.0 | 3 |
| Tyrosine-protein kinase JAK3 CHEMBL2148 | IC50 | 5.17 | 5.17 | 6800.0 | 1 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| F | 87.0 | % | Rattus norvegicus |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Tyrosine-protein kinase JAK2 | IC50 | = | 230.0 | nM | 6.64 | Competitive inhibition of JAK2 in the presence of 15 uM ATP | 21942426 |
| Tyrosine-protein kinase JAK2 | IC50 | = | 230.0 | nM | 6.64 | Inhibition of JAK2 | 21942426 |
| Tyrosine-protein kinase JAK2 | IC50 | = | 230.0 | nM | 6.64 | Inhibition of JAK2 using biotin-EQEDEPEGDYFEWLE- NH2 as substrate | 21942426 |
| Tyrosine-protein kinase JAK3 | IC50 | = | 6800.0 | nM | 5.17 | Inhibition of JAK3 | 21942426 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 21942426 | 10.1021/jm200909u | Tyrosine-protein kinase JAK2 | 4 |
| 21942426 | 10.1021/jm200909u | No relevant target | 2 |
| 21942426 | 10.1021/jm200909u | Rattus norvegicus | 1 |
| 21942426 | 10.1021/jm200909u | Unchecked | 1 |
| 21942426 | 10.1021/jm200909u | Tyrosine-protein kinase JAK3 | 1 |
Data from ChEMBL 36 via Core Engine