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Compound Detail

CHEMBL22463

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Basic Information

ChEMBL ID CHEMBL22463
Phase Preclinical
Structure Type MOL
InChI Key BIWOSRSKDCZIFM-UHFFFAOYSA-N
0
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

101.2
MW (Da)
-0.27
ALogP
2
HBA
2
HBD
32.3
PSA (Ų)
0.44
QED
0
Ro5 Violations
0
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C5H11NO
MW 101.15
Aromatic Rings 0
Heavy Atoms 7
NP-Likeness 1.22

Activity Summary

Kd 1 meas.

Literature References

PubMed DOI Target Context # Activities
4032427 10.1021/jm00147a021 Neuronal acetylcholine receptor 5
9357523 10.1021/jm9701886 Plasmodium falciparum 1

Data from ChEMBL 36 via Core Engine