Compound Detail
CHEMBL5915983
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CC[C@H]1CN(C(C)c2ccc(OC(F)(F)F)cc2)[C@H](CC)CN1c1nc(=O)n(C)c2ccc(C#N)nc12
Basic Information
| ChEMBL ID | CHEMBL5915983 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | CLXQYEYURDBVLZ-OHAXFNJZSA-N |
2
Targets
4
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
514.5
MW (Da)
4.54
ALogP
8
HBA
0
HBD
87.3
PSA (Ų)
0.48
QED
1
Ro5 Violations
6
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 8.15
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Diacylglycerol kinase alpha CHEMBL4105787 | IC50 | 8.15 | 7.29 | 7.0 | 2 |
| Diacylglycerol kinase zeta CHEMBL4105942 | IC50 | 7.32 | 6.665 | 48.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Diacylglycerol kinase alpha | IC50 | = | 7.0 | nM | 8.15 | In Vitro DGK Inhibition Assay: The reactions were carried out in 50 mM MOPS pH 7... | - |
| Diacylglycerol kinase zeta | IC50 | = | 48.0 | nM | 7.32 | In Vitro DGK Inhibition Assay: The reactions were carried out in 50 mM MOPS pH 7... | - |
| Diacylglycerol kinase alpha | IC50 | = | 370.0 | nM | 6.43 | In Vitro DGK Inhibition Assay: The reactions were carried out in 50 mM MOPS pH 7... | - |
| Diacylglycerol kinase zeta | IC50 | = | 970.0 | nM | 6.01 | In Vitro DGK Inhibition Assay: The reactions were carried out in 50 mM MOPS pH 7... | - |
Data from ChEMBL 36 via Core Engine