Compound Detail
CHEMBL2376149
Enter ChEMBL ID:
Free Research Context
This compound will appear in recent viewed items on the research home for this browser.
Research home
View demo workspace
COc1ccc2c(-c3cnc4[nH]cc(C(=O)N[C@H](C)C(=O)N5CC(C#N)C5)c4n3)nn(C)c2c1
Basic Information
| ChEMBL ID | CHEMBL2376149 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | MJJPFIFLAMTXHQ-GFCCVEGCSA-N |
5
Targets
6
Activities
1
Assay Types
0
PK Parameters
7
Publications
0
Known Names
Molecular Properties
458.5
MW (Da)
1.62
ALogP
8
HBA
2
HBD
141.8
PSA (Ų)
0.46
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 6 meas. best 8.74
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Tyrosine-protein kinase JAK3 CHEMBL2148 | IC50 | 8.74 | 8.74 | 1.8 | 1 |
| Tyrosine-protein kinase JAK2 CHEMBL2971 | IC50 | 7.8 | 6.93 | 16.0 | 2 |
| Tyrosine-protein kinase JAK1 CHEMBL2835 | IC50 | 7.42 | 7.42 | 38.0 | 1 |
| JAK3/JAK1 CHEMBL3038491 | IC50 | 6.75 | 6.75 | 180.0 | 1 |
| JAK2/JAK1 CHEMBL3038492 | IC50 | 5.58 | 5.58 | 2610.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Tyrosine-protein kinase JAK3 | IC50 | = | 1.8 | nM | 8.74 | Inhibition of JAK3 (unknown origin) using [33gammaP]ATP and Biotin-KAIETDKEYYTVK... | 23540648 |
| Tyrosine-protein kinase JAK2 | IC50 | = | 16.0 | nM | 7.8 | Inhibition of JAK2 (unknown origin) using [33gammaP]ATP and Biotin-KAIETDKEYYTVK... | 23540648 |
| Tyrosine-protein kinase JAK1 | IC50 | = | 38.0 | nM | 7.42 | Inhibition of JAK1 (unknown origin) using [33gammaP]ATP and Biotin-KAIETDKEYYTVK... | 23540648 |
| JAK3/JAK1 | IC50 | = | 180.0 | nM | 6.75 | Inhibition of JAK3/1 in human T cells expressing CD3 assessed as inhibition of I... | 23540648 |
| Tyrosine-protein kinase JAK2 | IC50 | = | 880.0 | nM | 6.06 | Inhibition of JAK2 in human monocytes expressing CD14 assessed as inhibition of ... | 23540648 |
| JAK2/JAK1 | IC50 | = | 2610.0 | nM | 5.58 | Inhibition of JAK2/1 in human T cells expressing CD3 assessed as inhibition of I... | 23540648 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 23540648 | 10.1016/j.bmcl.2013.02.012 | Unchecked | 4 |
| 23540648 | 10.1016/j.bmcl.2013.02.012 | Tyrosine-protein kinase JAK2 | 2 |
| 23540648 | 10.1016/j.bmcl.2013.02.012 | JAK2/JAK1 | 1 |
| 23540648 | 10.1016/j.bmcl.2013.02.012 | JAK3/JAK1 | 1 |
| 23540648 | 10.1016/j.bmcl.2013.02.012 | No relevant target | 1 |
| 23540648 | 10.1016/j.bmcl.2013.02.012 | Tyrosine-protein kinase JAK1 | 1 |
| 23540648 | 10.1016/j.bmcl.2013.02.012 | Tyrosine-protein kinase JAK3 | 1 |
Data from ChEMBL 36 via Core Engine