Compound Detail
CHEMBL6027746
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(c2nc(=O)n(C)c3ccc(C#N)nc23)[C@@H](CC)CN1Cc1ccc(OC(F)(F)F)cc1
Basic Information
| ChEMBL ID | CHEMBL6027746 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | CSGAEEBCVJCSNT-MOPGFXCFSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
500.5
MW (Da)
3.98
ALogP
8
HBA
0
HBD
87.3
PSA (Ų)
0.51
QED
1
Ro5 Violations
6
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 8.7
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Diacylglycerol kinase alpha CHEMBL4105787 | IC50 | 8.7 | 8.7 | 2.0 | 1 |
| Diacylglycerol kinase zeta CHEMBL4105942 | IC50 | 6.75 | 6.75 | 180.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Diacylglycerol kinase alpha | IC50 | = | 2.0 | nM | 8.7 | In Vitro DGK Inhibition Assay: The reactions were carried out in 50 mM MOPS pH 7... | - |
| Diacylglycerol kinase zeta | IC50 | = | 180.0 | nM | 6.75 | In Vitro DGK Inhibition Assay: The reactions were carried out in 50 mM MOPS pH 7... | - |
Data from ChEMBL 36 via Core Engine