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Compound Detail

CHEMBL185432

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O=C(O)Cn1c2ccccc2c2ccccc21
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL185432
Phase Preclinical
Structure Type MOL
InChI Key PBDMLLFEZXXJNE-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

225.2
MW (Da)
2.88
ALogP
2
HBA
1
HBD
42.2
PSA (Ų)
0.73
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 C14H11NO2
MW 225.25
Aromatic Rings 3
Heavy Atoms 17
NP-Likeness -0.56

Literature References

PubMed DOI Target Context # Activities
15357969 10.1016/j.bmcl.2004.06.057 Fatty acid-binding protein, adipocyte 1
28738306 10.1016/j.ejmech.2017.07.022 Fatty acid-binding protein, adipocyte 1

Data from ChEMBL 36 via Core Engine