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Compound Detail

CHEMBL2334245

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O=C(O)COc1ccccc1-c1cc(-c2ccc(Cl)cc2)n(-c2ccccc2)n1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL2334245
Phase Preclinical
Structure Type MOL
InChI Key BDGKQNCUMRLDPN-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

404.9
MW (Da)
5.32
ALogP
4
HBA
1
HBD
64.3
PSA (Ų)
0.47
QED
1
Ro5 Violations
6
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C23H17ClN2O3
MW 404.85
Aromatic Rings 4
Heavy Atoms 29
NP-Likeness -1.24

Literature References

PubMed DOI Target Context # Activities
23395658 10.1016/j.bmcl.2013.01.054 Fatty acid-binding protein, adipocyte 1
23395658 10.1016/j.bmcl.2013.01.054 Fatty acid-binding protein, heart 1

Data from ChEMBL 36 via Core Engine