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

CHEMBL4547696

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
C=CC(=O)N1CCC(CNc2ncnc(N)c2-c2ccc(Oc3ccccc3)cc2C(F)(F)F)CC1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4547696
Phase Preclinical
Structure Type MOL
InChI Key NCHTVLPFFAYIDR-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

497.5
MW (Da)
5.37
ALogP
6
HBA
2
HBD
93.4
PSA (Ų)
0.43
QED
1
Ro5 Violations
7
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C26H26F3N5O2
MW 497.52
Aromatic Rings 3
Heavy Atoms 36
NP-Likeness -0.63

Literature References

PubMed DOI Target Context # Activities
31368705 10.1021/acs.jmedchem.9b00794 Tyrosine-protein kinase BTK 1

Data from ChEMBL 36 via Core Engine