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Compound Detail

CHEMBL5814203

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C/C(=C\COc1ccccc1CN(C)C(=O)c1ccc(-c2ccccc2)cc1)CCC(=O)O

Basic Information

ChEMBL ID CHEMBL5814203
Phase Preclinical
Structure Type MOL
InChI Key CSEAICPSGOYIFQ-DYTRJAOYSA-N
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

443.5
MW (Da)
5.82
ALogP
3
HBA
1
HBD
66.8
PSA (Ų)
0.40
QED
1
Ro5 Violations
10
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C28H29NO4
MW 443.54
Aromatic Rings 3
Heavy Atoms 33
NP-Likeness -0.30

Activity Summary

EC50 2 meas. best 7.47

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Peroxisome proliferator-activated receptor delta
CHEMBL3979
EC50 7.47 7.06 33.6 2

Activity Data Samples

Top measurements by pChEMBL value

Data from ChEMBL 36 via Core Engine