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Compound Detail

CHEMBL15544

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Basic Information

ChEMBL ID CHEMBL15544
Phase Preclinical
Structure Type MOL
InChI Key FKNQCJSGGFJEIZ-UHFFFAOYSA-N
0
Targets
1
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

93.1
MW (Da)
1.39
ALogP
1
HBA
0
HBD
12.9
PSA (Ų)
0.47
QED
0
Ro5 Violations
0
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

Natural Product First in Class Prodrug

Extended Properties

Molecular Formula C6H7N
MW 93.13
Aromatic Rings 1
Heavy Atoms 7
NP-Likeness -1.31

Activity Summary

Kd 1 meas.

Literature References

PubMed DOI Target Context # Activities
4032427 10.1021/jm00147a021 Neuronal acetylcholine receptor 5
7199089 10.1021/jm00142a006 Thromboxane-A synthase 1
114658 10.1021/jm00195a026 No relevant target 1

Data from ChEMBL 36 via Core Engine