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Compound Detail

CHEMBL4067041

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C=CC(=O)Nc1cc(Nc2cc(-c3cccc(NC(=O)c4cccc(C(F)(F)F)c4)c3C)cn(C)c2=O)ccc1C(=O)N1CCOCC1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4067041
Phase Preclinical
Structure Type MOL
InChI Key PYRUPZUNPXEGJN-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

659.7
MW (Da)
5.97
ALogP
7
HBA
3
HBD
121.8
PSA (Ų)
0.20
QED
2
Ro5 Violations
8
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C35H32F3N5O5
MW 659.67
Aromatic Rings 4
Heavy Atoms 48
NP-Likeness -1.41

Literature References

PubMed DOI Target Context # Activities
28315597 10.1016/j.ejmech.2017.03.001 Tyrosine-protein kinase BTK 1

Data from ChEMBL 36 via Core Engine