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Compound Detail

CHEMBL589872

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O/N=C/C=C/c1ccc(Cl)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL589872
Phase Preclinical
Structure Type MOL
InChI Key KBWYAIBGBKNUCN-IOHLXRPMSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

181.6
MW (Da)
2.81
ALogP
2
HBA
1
HBD
32.6
PSA (Ų)
0.42
QED
0
Ro5 Violations
2
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C9H8ClNO
MW 181.62
Aromatic Rings 1
Heavy Atoms 12
NP-Likeness -0.38

Literature References

PubMed DOI Target Context # Activities
19945872 10.1016/j.bmcl.2009.10.113 Transient receptor potential cation channel subfamily A member 1 2

Data from ChEMBL 36 via Core Engine