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Compound Detail

CHEMBL113587

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O=C(O)Cc1ccc2[nH]c(-c3ccccc3)c(-c3ccccc3)c2c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL113587
Phase Preclinical
Structure Type MOL
InChI Key ZXOGUOKCMZNGQN-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

327.4
MW (Da)
5.13
ALogP
1
HBA
2
HBD
53.1
PSA (Ų)
0.55
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 C22H17NO2
MW 327.38
Aromatic Rings 4
Heavy Atoms 25
NP-Likeness -0.08

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