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Compound Detail

CHEMBL5268924

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CC(C)(C)c1cc(C(F)(F)F)nc(Nc2ccccc2-c2nnn[nH]2)n1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5268924
Phase Preclinical
Structure Type MOL
InChI Key IPMPKASHGHNCGO-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

363.4
MW (Da)
3.72
ALogP
6
HBA
2
HBD
92.3
PSA (Ų)
0.74
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C16H16F3N7
MW 363.35
Aromatic Rings 3
Heavy Atoms 26
NP-Likeness -1.78

Activity Summary

EC50 1 meas. best 6.19

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Taste receptor type 2 member 14
CHEMBL3309105
 EC50 6.19 6.19 640.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Taste receptor type 2 member 14 EC50 = 640.0 nM 6.19 Agonist activity at human TAS2R14 transfected in HEK293T cells assessed as IP1 a... 36847646

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