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Compound Detail

CHEMBL5265867

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FC(F)(F)c1cc(Nc2ccccc2-c2nnn[nH]2)ccn1

Basic Information

ChEMBL ID CHEMBL5265867
Phase Preclinical
Structure Type MOL
InChI Key FABSLLUFGSVEFU-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

306.2
MW (Da)
3.02
ALogP
5
HBA
2
HBD
79.4
PSA (Ų)
0.78
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C13H9F3N6
MW 306.25
Aromatic Rings 3
Heavy Atoms 22
NP-Likeness -1.86

Activity Summary

EC50 1 meas. best 5.46

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Taste receptor type 2 member 14
CHEMBL3309105
EC50 5.46 5.46 3500.0 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