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Compound Detail

CHEMBL1784324

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COc1c(Cl)cc(Cl)cc1-c1ccc[nH]1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1784324
Phase Preclinical
Structure Type MOL
InChI Key JEEMPCKNKFKDOD-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

242.1
MW (Da)
4.00
ALogP
1
HBA
1
HBD
25.0
PSA (Ų)
0.85
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 C11H9Cl2NO
MW 242.10
Aromatic Rings 2
Heavy Atoms 15
NP-Likeness -0.69

Literature References

PubMed DOI Target Context # Activities
21534527 10.1021/jm200259f Unchecked 1

Data from ChEMBL 36 via Core Engine