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Compound Detail

CHEMBL3262483

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CCCCCCCOC(=O)Nc1ccc2c(c1)C(=O)N1CCc3c([nH]c4ccccc34)C1N2C
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3262483
Phase Preclinical
Structure Type MOL
InChI Key RZWHNKWMQCLFSI-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
4
Publications
0
Known Names

Molecular Properties

460.6
MW (Da)
5.83
ALogP
4
HBA
2
HBD
77.7
PSA (Ų)
0.43
QED
1
Ro5 Violations
7
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C27H32N4O3
MW 460.58
Aromatic Rings 3
Heavy Atoms 34
NP-Likeness -0.19

Literature References

PubMed DOI Target Context # Activities
24819955 10.1016/j.ejmech.2014.05.002 Cholinesterase 2
24819955 10.1016/j.ejmech.2014.05.002 Acetylcholinesterase 2
24819955 10.1016/j.ejmech.2014.05.002 HT-22 2
24819955 10.1016/j.ejmech.2014.05.002 NON-PROTEIN TARGET 1

Data from ChEMBL 36 via Core Engine