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

CHEMBL537480

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
Br.NC1=NCC(c2ccccc2)N1c1ccccc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL537480
Phase Preclinical
Structure Type MOL
InChI Key BLXINYQHBZFDJP-UHFFFAOYSA-N
Parent Compound CHEMBL1188852
Active Moiety CHEMBL1188852
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

237.3
MW (Da)
2.56
ALogP
3
HBA
1
HBD
41.6
PSA (Ų)
0.87
QED
0
Ro5 Violations
2
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C15H16BrN3
MW 318.22
Aromatic Rings 2
Heavy Atoms 18
NP-Likeness -0.45

Literature References

PubMed DOI Target Context # Activities
9685245 10.1021/jm980124a Sodium channel protein type 2 subunit alpha 1

Data from ChEMBL 36 via Core Engine