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Compound Detail

CHEMBL5998602

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CCO[C@@H](Cc1ccc(OCc2cc(CO)ccn2)cc1)C(=O)N(C)OC
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5998602
Phase Preclinical
Structure Type MOL
InChI Key BELWYYNDXRZRPS-IBGZPJMESA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

374.4
MW (Da)
2.12
ALogP
6
HBA
1
HBD
81.1
PSA (Ų)
0.64
QED
0
Ro5 Violations
10
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C20H26N2O5
MW 374.44
Aromatic Rings 2
Heavy Atoms 27
NP-Likeness -0.47

Activity Summary

IC50 1 meas. best 4.56

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Unchecked
CHEMBL612545
 IC50 4.56 4.56 27700.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Unchecked IC50 = 27700.0 nM 4.56 Competitive Binding Assay: PPARγ binding is measured by a TR-FRET competitive bi... -

Data from ChEMBL 36 via Core Engine