Compound Detail
CHEMBL5744264
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(c1ccnc(Nc2nc3ccc(-c4cc(N5CCCC5)ncn4)cc3[nH]2)c1)N1CCN(C(=O)C2(C)CC2(F)F)CC1
Basic Information
| ChEMBL ID | CHEMBL5744264 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | XJSZJTFHORERFM-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
587.7
MW (Da)
5.01
ALogP
8
HBA
2
HBD
106.2
PSA (Ų)
0.31
QED
2
Ro5 Violations
7
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 9.07
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Serine/threonine-protein kinase TBK1 CHEMBL5408 | IC50 | 9.07 | 9.07 | 0.9 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Serine/threonine-protein kinase TBK1 | IC50 | = | 0.86 | nM | 9.07 | TBK1 Low ATP Kinase Assay: Recombinant full-length N-terminally His-tagged human... | - |
Data from ChEMBL 36 via Core Engine