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Compound Detail

CHEMBL5084631

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Cc1cc(-n2ncn(-c3ccc(C(F)(F)F)cc3)c2=O)cc(C)c1OC(C)(C)C(=O)O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5084631
Phase Preclinical
Structure Type MOL
InChI Key AZAUWYRRCDGTFI-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

435.4
MW (Da)
3.90
ALogP
6
HBA
1
HBD
86.3
PSA (Ų)
0.66
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C21H20F3N3O4
MW 435.40
Aromatic Rings 3
Heavy Atoms 31
NP-Likeness -0.84

Literature References

PubMed DOI Target Context # Activities
35060744 10.1021/acs.jmedchem.1c02002 Peroxisome proliferator-activated receptor alpha 1
35060744 10.1021/acs.jmedchem.1c02002 Peroxisome proliferator-activated receptor delta 1
35060744 10.1021/acs.jmedchem.1c02002 Peroxisome proliferator-activated receptor gamma 1

Data from ChEMBL 36 via Core Engine