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Compound Detail

CHEMBL1256017

ARCAINE SULFATE
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N=C(N)NCCCCNC(=N)N.O=S(=O)(O)O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1256017
Name ARCAINE SULFATE
Phase Preclinical
Structure Type MOL
InChI Key RWTGFMPOODRXIM-UHFFFAOYSA-N
Parent Compound CHEMBL102740
Active Moiety CHEMBL102740
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

172.2
MW (Da)
-1.27
ALogP
2
HBA
6
HBD
123.8
PSA (Ų)
0.18
QED
1
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C6H18N6O4S
MW 270.31
Aromatic Rings 0
Heavy Atoms 12
NP-Likeness 0.12

Literature References

PubMed DOI Target Context # Activities
17417631 10.1038/nchembio873 Unchecked 1
23571415 10.1124/mol.112.084152 Solute carrier organic anion transporter family member 1B3 1
23571415 10.1124/mol.112.084152 Solute carrier organic anion transporter family member 1B1 1

Data from ChEMBL 36 via Core Engine