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

CHEMBL4596587

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
CNc1ccn2cc(-c3cc(Br)c(OC)cc3OC)nc2c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4596587
Phase Preclinical
Structure Type MOL
InChI Key UDLSGJARORANOY-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

362.2
MW (Da)
3.82
ALogP
5
HBA
1
HBD
47.8
PSA (Ų)
0.77
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C16H16BrN3O2
MW 362.23
Aromatic Rings 3
Heavy Atoms 22
NP-Likeness -1.02

Data from ChEMBL 36 via Core Engine