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Compound Detail

CHEMBL556117

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Br.N=C(Nc1ccccc1)Nc1ccccc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL556117
Phase Preclinical
Structure Type MOL
InChI Key DSESGJJGBBAHNW-UHFFFAOYSA-N
Parent Compound CHEMBL77675
Active Moiety CHEMBL77675
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

211.3
MW (Da)
3.15
ALogP
1
HBA
3
HBD
47.9
PSA (Ų)
0.53
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 C13H14BrN3
MW 292.18
Aromatic Rings 2
Heavy Atoms 16
NP-Likeness -0.41

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