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Compound Detail

CHEMBL1241267

HALOSTACHINE
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CNCC(O)c1ccccc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1241267
Name HALOSTACHINE
Phase Preclinical
Structure Type MOL
InChI Key ZCTYHONEGJTYQV-UHFFFAOYSA-N
0
Targets
2
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

151.2
MW (Da)
0.94
ALogP
2
HBA
2
HBD
32.3
PSA (Ų)
0.67
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

Natural Product First in Class Prodrug

Extended Properties

Molecular Formula C9H13NO
MW 151.21
Aromatic Rings 1
Heavy Atoms 11
NP-Likeness 0.39

Activity Summary

Ki 2 meas.

Literature References

PubMed DOI Target Context # Activities
16799554 10.1038/nchembio801 Unchecked 3

Data from ChEMBL 36 via Core Engine