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Compound Detail

CHEMBL5265924

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FC(F)(F)c1nccc(Nc2ccccc2-c2nnn[nH]2)n1

Basic Information

ChEMBL ID CHEMBL5265924
Phase Preclinical
Structure Type MOL
InChI Key PMMKPOYAVUXAHK-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

307.2
MW (Da)
2.42
ALogP
6
HBA
2
HBD
92.3
PSA (Ų)
0.77
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C12H8F3N7
MW 307.24
Aromatic Rings 3
Heavy Atoms 22
NP-Likeness -1.85

Activity Summary

EC50 1 meas. best 5.96

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Taste receptor type 2 member 14
CHEMBL3309105
EC50 5.96 5.96 1100.0 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