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Compound Detail

CHEMBL86051

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Clc1ncc(OC[C@@H]2CCN2)cc1-c1ccc(Br)nc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL86051
Phase Preclinical
Structure Type MOL
InChI Key GCESCLVBELOUPK-JTQLQIEISA-N
0
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

354.6
MW (Da)
3.30
ALogP
4
HBA
1
HBD
47.0
PSA (Ų)
0.86
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 C14H13BrClN3O
MW 354.64
Aromatic Rings 2
Heavy Atoms 20
NP-Likeness -0.26

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