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Compound Detail

CHEMBL5077836

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Cc1cc(Cn2ncn(-c3ccc(C#N)cc3)c2=O)cc(C)c1OC(C)(C)C(=O)O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5077836
Phase Preclinical
Structure Type MOL
InChI Key QVTCWNJEQPGOOA-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

406.4
MW (Da)
2.81
ALogP
7
HBA
1
HBD
110.1
PSA (Ų)
0.67
QED
0
Ro5 Violations
6
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C22H22N4O4
MW 406.44
Aromatic Rings 3
Heavy Atoms 30
NP-Likeness -1.06

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