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Compound Detail

CHEMBL5549754

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Cc1cc(CN2CCN(c3ccccn3)CC2)cc(C)c1OC(C)(C)C(=O)O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5549754
Phase Preclinical
Structure Type MOL
InChI Key XURRUJZDVGZAGA-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

383.5
MW (Da)
3.26
ALogP
5
HBA
1
HBD
65.9
PSA (Ų)
0.83
QED
0
Ro5 Violations
6
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C22H29N3O3
MW 383.49
Aromatic Rings 2
Heavy Atoms 28
NP-Likeness -1.26

Literature References

PubMed DOI Target Context # Activities
38522113 10.1016/j.ejmech.2024.116344 Peroxisome proliferator-activated receptor alpha 1
38522113 10.1016/j.ejmech.2024.116344 Peroxisome proliferator-activated receptor delta 1
38522113 10.1016/j.ejmech.2024.116344 Peroxisome proliferator-activated receptor gamma 1

Data from ChEMBL 36 via Core Engine