Skip to main content
Free research Free research Free compound review with research home and workspace preview
Quick search ChEMBL 36
Compound Detail

CHEMBL5399754

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
O=C(NCCCn1cc(Br)c2cnc(Nc3cccc(CN4CCOCC4)c3)nc21)C1CCC1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5399754
Phase Preclinical
Structure Type MOL
InChI Key WPTXEHKKUVKVBK-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

527.5
MW (Da)
4.08
ALogP
7
HBA
2
HBD
84.3
PSA (Ų)
0.41
QED
1
Ro5 Violations
9
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C25H31BrN6O2
MW 527.47
Aromatic Rings 3
Heavy Atoms 34
NP-Likeness -1.84

Literature References

PubMed DOI Target Context # Activities
36603506 10.1016/j.ejmech.2022.115034 Serine/threonine-protein kinase TBK1 4

Data from ChEMBL 36 via Core Engine