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Compound Detail

CHEMBL3746726

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

Basic Information

ChEMBL ID CHEMBL3746726
Phase Preclinical
Structure Type MOL
InChI Key YBTBWCKHHPKLFF-ZPUQHVIOSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

303.2
MW (Da)
5.45
ALogP
1
HBA
0
HBD
17.1
PSA (Ų)
0.42
QED
1
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C17H12Cl2O
MW 303.19
Aromatic Rings 2
Heavy Atoms 20
NP-Likeness -0.05

Literature References

PubMed DOI Target Context # Activities
- 10.1039/C4MD00541D RAW264.7 3

Data from ChEMBL 36 via Core Engine