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Compound Detail

CHEMBL6002856

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CCO[C@@H](Cc1ccc(OCc2ccccn2)cc1)C(=O)NO

Basic Information

ChEMBL ID CHEMBL6002856
Phase Preclinical
Structure Type MOL
InChI Key RTJDRHVEBDAEBC-INIZCTEOSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

316.4
MW (Da)
2.11
ALogP
5
HBA
2
HBD
80.7
PSA (Ų)
0.58
QED
0
Ro5 Violations
8
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C17H20N2O4
MW 316.36
Aromatic Rings 2
Heavy Atoms 23
NP-Likeness -0.92

Activity Summary

IC50 1 meas. best 4.23

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Unchecked
CHEMBL612545
IC50 4.23 4.23 58900.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Unchecked IC50 = 58900.0 nM 4.23 Competitive Binding Assay: PPARγ binding is measured by a TR-FRET competitive bi... -

Data from ChEMBL 36 via Core Engine