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Compound Detail

CHEMBL103505

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CS(=O)(=O)O.c1ccc(NC2=NCCN2c2ccccc2)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL103505
Phase Preclinical
Structure Type MOL
InChI Key VLNZIJSXFCDARL-UHFFFAOYSA-N
Parent Compound CHEMBL1179888
Active Moiety CHEMBL1179888
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

237.3
MW (Da)
2.97
ALogP
3
HBA
1
HBD
27.6
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 C16H19N3O3S
MW 333.41
Aromatic Rings 2
Heavy Atoms 18
NP-Likeness -1.12

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