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Compound Detail

CHEMBL1993147

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Cc1ccc(CNc2ccc(Br)cc2)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1993147
Phase Preclinical
Structure Type MOL
InChI Key WJKFEXKYOWOJPT-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

276.2
MW (Da)
4.37
ALogP
1
HBA
1
HBD
12.0
PSA (Ų)
0.88
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 C14H14BrN
MW 276.18
Aromatic Rings 2
Heavy Atoms 16
NP-Likeness -1.28

Literature References

PubMed DOI Target Context # Activities
- 10.1007/s00044-013-0493-8 Acetylcholinesterase 2
- 10.1007/s00044-013-0493-8 Cholinesterase 1

Data from ChEMBL 36 via Core Engine