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Compound Detail

CHEMBL1419634

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Cc1c(F)cccc1NS(=O)(=O)c1ccc2c(c1)c(=O)n(C)c(=O)n2C
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1419634
Phase Preclinical
Structure Type MOL
InChI Key KCLOJGUWTMHGSD-UHFFFAOYSA-N
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

377.4
MW (Da)
1.49
ALogP
6
HBA
1
HBD
90.2
PSA (Ų)
0.75
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C17H16FN3O4S
MW 377.40
Aromatic Rings 3
Heavy Atoms 26
NP-Likeness -1.89

Activity Summary

IC50 2 meas. best 6.03

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Taste receptor type 2 member 14
CHEMBL3309105
 IC50 6.03 6.03 935.0 2

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Taste receptor type 2 member 14 IC50 = 935.0 nM 6.03 Fluorescence Polarization Assays: In another embodiment, Fluorescence Polarizati... -
Taste receptor type 2 member 14 IC50 = 935.0 nM 6.03 Fluorescence Polarization Assays: In another embodiment, Fluorescence Polarizati... -

Data from ChEMBL 36 via Core Engine