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Compound Detail

CHEMBL1643197

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Cc1cc(CN2Cc3ccccc3C2C(=O)Nc2ccccc2)ccc1OCC(=O)O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1643197
Phase Preclinical
Structure Type MOL
InChI Key BAKWHMVZRMLABP-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

416.5
MW (Da)
4.15
ALogP
4
HBA
2
HBD
78.9
PSA (Ų)
0.60
QED
0
Ro5 Violations
7
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C25H24N2O4
MW 416.48
Aromatic Rings 3
Heavy Atoms 31
NP-Likeness -0.95

Literature References

PubMed DOI Target Context # Activities
21094606 10.1016/j.bmcl.2010.10.117 Peroxisome proliferator-activated receptor delta 1

Data from ChEMBL 36 via Core Engine