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Compound Detail

CHEMBL132133

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NCCCCCCNCCSSCCNCCCCCCN
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL132133
Phase Preclinical
Structure Type MOL
InChI Key HWCJBHIDZTXVIO-UHFFFAOYSA-N
0
Targets
2
Activities
1
Assay Types
0
PK Parameters
6
Publications
0
Known Names

Molecular Properties

350.6
MW (Da)
2.59
ALogP
6
HBA
4
HBD
76.1
PSA (Ų)
0.21
QED
0
Ro5 Violations
19
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C16H38N4S2
MW 350.64
Aromatic Rings 0
Heavy Atoms 22
NP-Likeness 0.14

Activity Summary

IC50 2 meas.

Literature References

PubMed DOI Target Context # Activities
8093737 10.1021/jm00054a012 Unchecked 3
9784091 10.1021/jm9810452 Acetylcholinesterase 1
9784091 10.1021/jm9810452 Cholinesterase 1
9784091 10.1021/jm9810452 Muscarinic acetylcholine receptor M1 1
9784091 10.1021/jm9810452 Muscarinic acetylcholine receptor M2 1
9784091 10.1021/jm9810452 Muscarinic acetylcholine receptor M3 1

Data from ChEMBL 36 via Core Engine