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Compound Detail

CHEMBL2430711

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O=C1CCc2ccc(O)cc2N1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL2430711
Phase Preclinical
Structure Type MOL
InChI Key LKLSFDWYIBUGNT-UHFFFAOYSA-N
0
Targets
1
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names

Molecular Properties

163.2
MW (Da)
1.28
ALogP
2
HBA
2
HBD
49.3
PSA (Ų)
0.60
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 C9H9NO2
MW 163.18
Aromatic Rings 1
Heavy Atoms 12
NP-Likeness 0.53

Activity Summary

IC50 1 meas.

Literature References

PubMed DOI Target Context # Activities
28487125 10.1016/j.bmc.2017.03.070 Acetylcholinesterase 2
24012182 10.1016/j.bmcl.2013.08.071 Amine oxidase [flavin-containing] B 1
24012182 10.1016/j.bmcl.2013.08.071 Amine oxidase [flavin-containing] A 1
28487125 10.1016/j.bmc.2017.03.070 Cholinesterase 1
28487125 10.1016/j.bmc.2017.03.070 Unchecked 1

Data from ChEMBL 36 via Core Engine