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Compound Detail

CHEMBL5279932

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Oc1cc(C(F)(F)F)nc(Nc2ccccc2-c2nnn[nH]2)n1

Basic Information

ChEMBL ID CHEMBL5279932
Phase Preclinical
Structure Type MOL
InChI Key CJAGWEUXLWSNEX-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

323.2
MW (Da)
2.12
ALogP
7
HBA
3
HBD
112.5
PSA (Ų)
0.68
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C12H8F3N7O
MW 323.24
Aromatic Rings 3
Heavy Atoms 23
NP-Likeness -1.98

Activity Summary

EC50 1 meas. best 5.17

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Taste receptor type 2 member 14
CHEMBL3309105
EC50 5.17 5.17 6800.0 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