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Compound Detail

CHEMBL558794

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Cl.O=[N+]([O-])c1ccc(-c2cc(C3CC4CCC3N4)cnc2F)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL558794
Phase Preclinical
Structure Type MOL
InChI Key OJQNNEKYBXTRLC-UHFFFAOYSA-N
Parent Compound CHEMBL361465
Active Moiety CHEMBL361465
0
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

313.3
MW (Da)
3.40
ALogP
4
HBA
1
HBD
68.1
PSA (Ų)
0.54
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C17H17ClFN3O2
MW 349.79
Aromatic Rings 2
Heavy Atoms 23
NP-Likeness 0.25

Activity Summary

Ki 1 meas.

Literature References

PubMed DOI Target Context # Activities
17964169 10.1016/j.bmc.2007.10.027 Mus musculus 7
17964169 10.1016/j.bmc.2007.10.027 Neuronal acetylcholine receptor; alpha4/beta2 1

Data from ChEMBL 36 via Core Engine