Compound Detail
CHEMBL5849375
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
CC[C@H]1CN(C(c2ccc(F)cc2)c2nc(C3CC3)no2)[C@H](CC)CN1c1nc(=O)n(C)c2ccc(C#N)nc12
Basic Information
| ChEMBL ID | CHEMBL5849375 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | QERRXAZVGOPRIH-RTIVMORXSA-N |
2
Targets
4
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
542.6
MW (Da)
4.07
ALogP
10
HBA
0
HBD
117.0
PSA (Ų)
0.34
QED
1
Ro5 Violations
7
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 7.85
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Diacylglycerol kinase alpha CHEMBL4105787 | IC50 | 7.85 | 7.51 | 14.0 | 2 |
| Diacylglycerol kinase zeta CHEMBL4105942 | IC50 | 7.54 | 7.51 | 29.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Diacylglycerol kinase alpha | IC50 | = | 14.0 | nM | 7.85 | In Vitro DGK Inhibition Assay: The reactions were carried out in 50 mM MOPS pH 7... | - |
| Diacylglycerol kinase zeta | IC50 | = | 29.0 | nM | 7.54 | In Vitro DGK Inhibition Assay: The reactions were carried out in 50 mM MOPS pH 7... | - |
| Diacylglycerol kinase zeta | IC50 | = | 33.0 | nM | 7.48 | In Vitro DGK Inhibition Assay: The reactions were carried out in 50 mM MOPS pH 7... | - |
| Diacylglycerol kinase alpha | IC50 | = | 67.0 | nM | 7.17 | In Vitro DGK Inhibition Assay: The reactions were carried out in 50 mM MOPS pH 7... | - |
Data from ChEMBL 36 via Core Engine