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Compound Detail

CHEMBL123268

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CCC/C(=N\OCCOc1ccc(CC2SC(=O)NC2=O)cc1)c1ccc(-c2ccccc2)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL123268
Phase Preclinical
Structure Type MOL
InChI Key CARUBENMPHPZTJ-QCWLDUFUSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

488.6
MW (Da)
5.85
ALogP
6
HBA
1
HBD
77.0
PSA (Ų)
0.21
QED
1
Ro5 Violations
11
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C28H28N2O4S
MW 488.61
Aromatic Rings 3
Heavy Atoms 35
NP-Likeness -0.48

Literature References

PubMed DOI Target Context # Activities
10714503 10.1016/s0960-894x(00)00003-2 Peroxisome proliferator-activated receptor gamma 1
10714503 10.1016/s0960-894x(00)00003-2 Mus musculus 1
- 10.1007/s00044-010-9428-9 Peroxisome proliferator-activated receptor gamma 1

Data from ChEMBL 36 via Core Engine