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Compound Detail

CHEMBL309292

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Fc1ccnc[n+]1-c1cc(OC[C@@H]2CCN2)cnc1Cl
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL309292
Phase Preclinical
Structure Type MOL
InChI Key GMWZZJYZHHLQMD-VIFPVBQESA-N
0
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

295.7
MW (Da)
1.29
ALogP
4
HBA
1
HBD
50.9
PSA (Ų)
0.52
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C13H13ClFN4O+
MW 295.73
Aromatic Rings 2
Heavy Atoms 20
NP-Likeness -0.28

Activity Summary

Ki 1 meas.

Literature References

PubMed DOI Target Context # Activities
15115389 10.1021/jm030432v No relevant target 2
15115389 10.1021/jm030432v Neuronal acetylcholine receptor; alpha4/beta2 1

Data from ChEMBL 36 via Core Engine