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

CHEMBL4594800

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
N=C(NCCCCN1CCN(CCCCCCCOc2ccccc2)CC1)NCc1ccc(C(F)(F)F)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4594800
Phase Preclinical
Structure Type MOL
InChI Key CGNPGYJERJGJDU-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

547.7
MW (Da)
5.75
ALogP
4
HBA
3
HBD
63.6
PSA (Ų)
0.14
QED
2
Ro5 Violations
16
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C30H44F3N5O
MW 547.71
Aromatic Rings 2
Heavy Atoms 39
NP-Likeness -0.82

Data from ChEMBL 36 via Core Engine