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Compound Detail

CHEMBL5276181

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O=C(O)c1ccccc1Nc1cccc(OC(F)F)c1

Basic Information

ChEMBL ID CHEMBL5276181
Phase Preclinical
Structure Type MOL
InChI Key VHXVCZMDTOIYOB-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

279.2
MW (Da)
3.73
ALogP
3
HBA
2
HBD
58.6
PSA (Ų)
0.88
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C14H11F2NO3
MW 279.24
Aromatic Rings 2
Heavy Atoms 20
NP-Likeness -1.60

Activity Summary

EC50 1 meas. best 6.03

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Taste receptor type 2 member 14
CHEMBL3309105
EC50 6.03 6.03 930.0 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
36847646 10.1021/acs.jmedchem.2c01997 Taste receptor type 2 member 14 2

Data from ChEMBL 36 via Core Engine