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

CHEMBL4596458

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(C)N1CCN(c2ccc(/C(=C(/CCCO)c3ccccc3)c3cccc(Br)c3)cc2)CC1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4596458
Phase Preclinical
Structure Type MOL
InChI Key FCVYIVQIZBHNBW-QVIHXGFCSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

519.5
MW (Da)
6.71
ALogP
3
HBA
1
HBD
26.7
PSA (Ų)
0.34
QED
2
Ro5 Violations
8
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C30H35BrN2O
MW 519.53
Aromatic Rings 3
Heavy Atoms 34
NP-Likeness -0.71

Data from ChEMBL 36 via Core Engine