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Compound Detail

CHEMBL83444

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Fc1ccc(-c2cc(OC[C@@H]3CCN3)cnc2Cl)cn1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL83444
Phase Preclinical
Structure Type MOL
InChI Key ACAQQWCXJIXNCQ-JTQLQIEISA-N
0
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

293.7
MW (Da)
2.68
ALogP
4
HBA
1
HBD
47.0
PSA (Ų)
0.88
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 C14H13ClFN3O
MW 293.73
Aromatic Rings 2
Heavy Atoms 20
NP-Likeness -0.32

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