Compound Detail
CHEMBL5438635
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
CNc1cc(Nc2cccn([C@H]3CC[C@@H](OC)CC3)c2=O)nc2c(C(=O)N[C@@H]3CC[C@H]3OC)cnn12
Basic Information
| ChEMBL ID | CHEMBL5438635 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | RWTRNTPHYFRFAB-YNVMFWSZSA-N |
1
Targets
2
Activities
2
Assay Types
1
PK Parameters
3
Publications
0
Known Names
Molecular Properties
495.6
MW (Da)
2.71
ALogP
10
HBA
3
HBD
123.8
PSA (Ų)
0.44
QED
0
Ro5 Violations
8
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 8.02
Kd 1 meas.
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Non-receptor tyrosine-protein kinase TYK2 CHEMBL3553 | IC50 | 8.02 | 8.02 | 9.6 | 1 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| Fu | 0.14 | - | Homo sapiens |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Non-receptor tyrosine-protein kinase TYK2 | IC50 | = | 9.6 | nM | 8.02 | Inhibition of TYK2 in human PBMC cells assessed as IL-12 induced phosphorylation... | 37427891 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 37427891 | 10.1021/acs.jmedchem.3c00600 | Non-receptor tyrosine-protein kinase TYK2 | 2 |
| 37427891 | 10.1021/acs.jmedchem.3c00600 | No relevant target | 1 |
| 37427891 | 10.1021/acs.jmedchem.3c00600 | ADMET | 1 |
Data from ChEMBL 36 via Core Engine