Skip to main content
Free research Free research Free compound review with research home and workspace preview
Quick search ChEMBL 36
Compound Detail

CHEMBL3717355

Enter ChEMBL ID:
Free Research Context This compound will appear in recent viewed items on the research home for this browser.
Research home View demo workspace
CC1CCCCC1NC(=O)c1ccc(F)c(C(F)(F)F)c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3717355
Phase Preclinical
Structure Type MOL
InChI Key HQMPCSOHSMGUIV-UHFFFAOYSA-N
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

303.3
MW (Da)
4.15
ALogP
1
HBA
1
HBD
29.1
PSA (Ų)
0.82
QED
0
Ro5 Violations
2
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C15H17F4NO
MW 303.30
Aromatic Rings 1
Heavy Atoms 21
NP-Likeness -1.47

Activity Summary

EC50 3 meas. best 6.29

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
T1R1/T1R3
CHEMBL3832641
 EC50 6.29 6.29 510.0 1
T1R2/T1R3
CHEMBL3832642
 EC50 6.29 6.29 510.0 1
Unchecked
CHEMBL612545
 EC50 6.29 6.29 510.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
T1R2/T1R3 EC50 = 510.0 nM 6.29 Agonist activity at human T1R2/T1R3 expressed in HEK293T cells co-expressing Gal... -
T1R1/T1R3 EC50 = 510.0 nM 6.29 Immunological Binding Assay: Immunoassays also often use a labeling agent to spe... -
Unchecked EC50 = 510.0 nM 6.29 Immunological Binding Assay: Immunoassays also often use a labeling agent to spe... -

Data from ChEMBL 36 via Core Engine