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Compound Detail

CHEMBL115310

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O=C(O)Cc1ccc2[nH]cc(CCc3ccccc3)c2c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL115310
Phase Preclinical
Structure Type MOL
InChI Key RORSMSQYKWAPHU-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

279.3
MW (Da)
3.58
ALogP
1
HBA
2
HBD
53.1
PSA (Ų)
0.75
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C18H17NO2
MW 279.34
Aromatic Rings 3
Heavy Atoms 21
NP-Likeness -0.03

Literature References

PubMed DOI Target Context # Activities
10612594 10.1016/s0960-894x(99)00603-4 Peroxisome proliferator-activated receptor gamma 2
10612594 10.1016/s0960-894x(99)00603-4 Peroxisome proliferator-activated receptor alpha 1
10612594 10.1016/s0960-894x(99)00603-4 Peroxisome proliferator-activated receptor delta 1

Data from ChEMBL 36 via Core Engine