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Compound Detail

CHEMBL83738

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Fc1ncc(/C=C/c2cc(OC[C@@H]3CCN3)cnc2Cl)cc1Br
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL83738
Phase Preclinical
Structure Type MOL
InChI Key NYLCLJHBMLSCJP-ISUDXETCSA-N
0
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

398.7
MW (Da)
3.94
ALogP
4
HBA
1
HBD
47.0
PSA (Ų)
0.78
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C16H14BrClFN3O
MW 398.66
Aromatic Rings 2
Heavy Atoms 23
NP-Likeness -0.31

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