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Compound Detail

CHEMBL378181

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O=C(O)C(=O)c1cccc(OCc2ccccc2Cl)c1OCc1ccccc1Cl
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL378181
Phase Preclinical
Structure Type MOL
InChI Key DSSORHUMAQSDKZ-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

431.3
MW (Da)
5.42
ALogP
4
HBA
1
HBD
72.8
PSA (Ų)
0.38
QED
1
Ro5 Violations
8
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C22H16Cl2O5
MW 431.27
Aromatic Rings 3
Heavy Atoms 29
NP-Likeness -0.51

Literature References

PubMed DOI Target Context # Activities
16884313 10.1021/jm060360i Fatty acid-binding protein, adipocyte 1
16884313 10.1021/jm060360i Fatty acid-binding protein 5 1

Data from ChEMBL 36 via Core Engine