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Compound Detail

CHEMBL3715156

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C=Cc1ccc(C(=O)N[C@H](CC(C)C)C(=O)OC)cc1

Basic Information

ChEMBL ID CHEMBL3715156
Phase Preclinical
Structure Type MOL
InChI Key WBSOFZAAUGZFJD-CQSZACIVSA-N
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

275.4
MW (Da)
2.65
ALogP
3
HBA
1
HBD
55.4
PSA (Ų)
0.81
QED
0
Ro5 Violations
6
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C16H21NO3
MW 275.35
Aromatic Rings 1
Heavy Atoms 20
NP-Likeness -0.16

Activity Summary

EC50 2 meas. best 6.75

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
T1R1/T1R3
CHEMBL3832641
EC50 6.75 6.75 180.0 2

Activity Data Samples

Top measurements by pChEMBL value

Data from ChEMBL 36 via Core Engine