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Compound Detail

CHEMBL6031028

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C/C(=C\COc1ccccc1CN(C)C(=O)c1ccc2oc(C)cc2c1)CCC(=O)O

Basic Information

ChEMBL ID CHEMBL6031028
Phase Preclinical
Structure Type MOL
InChI Key ZBHGMRHZGOJPKI-SFQUDFHCSA-N
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

421.5
MW (Da)
5.20
ALogP
4
HBA
1
HBD
80.0
PSA (Ų)
0.48
QED
1
Ro5 Violations
9
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C25H27NO5
MW 421.49
Aromatic Rings 3
Heavy Atoms 31
NP-Likeness -0.19

Activity Summary

EC50 2 meas. best 7.35

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Peroxisome proliferator-activated receptor delta
CHEMBL3979
EC50 7.35 7.35 45.1 1
Unchecked
CHEMBL612545
EC50 7.35 7.35 45.1 1

Activity Data Samples

Top measurements by pChEMBL value

Data from ChEMBL 36 via Core Engine