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Compound Detail

CHEMBL155495

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CNC(NCCNCc1ccc(COC)o1)=C(C#N)C#N
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL155495
Phase Preclinical
Structure Type MOL
InChI Key FPHMMAIDSAXEBK-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

289.3
MW (Da)
0.58
ALogP
7
HBA
3
HBD
106.0
PSA (Ų)
0.45
QED
0
Ro5 Violations
9
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C14H19N5O2
MW 289.34
Aromatic Rings 1
Heavy Atoms 21
NP-Likeness -0.61

Literature References

PubMed DOI Target Context # Activities
8496937 10.1021/jm00057a007 Acetylcholinesterase 1
8496937 10.1021/jm00057a007 Cavia porcellus 1

Data from ChEMBL 36 via Core Engine