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Compound Detail

CHEMBL398447

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CCCCCCCN(C(=O)Nc1ccccc1)C1Cc2ccc(SC(C)(C)C(=O)O)cc2C1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL398447
Phase Preclinical
Structure Type MOL
InChI Key XCPFEDYAOSPIJB-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

468.7
MW (Da)
6.61
ALogP
3
HBA
2
HBD
69.6
PSA (Ų)
0.29
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 C27H36N2O3S
MW 468.66
Aromatic Rings 2
Heavy Atoms 33
NP-Likeness -0.66

Literature References

PubMed DOI Target Context # Activities
18029176 10.1016/j.bmcl.2007.10.041 Peroxisome proliferator-activated receptor alpha 1

Data from ChEMBL 36 via Core Engine