Compound Detail

CHEMBL6067658

DENATONIUM BENZOATE

🧪 Phase II

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🧪 Phase II

CC[N+](CC)(CC(=O)Nc1c(C)cccc1C)Cc1ccccc1.O.O=C([O-])c1ccccc1

ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID	CHEMBL6067658
Name	DENATONIUM BENZOATE
Phase	Phase II
Structure Type	MOL
InChI Key	YYMVPVZYUYQSJE-UHFFFAOYSA-N
Parent Compound	CHEMBL1738972
Active Moiety	CHEMBL1738972

Known Names

Benzoate de denatonium Benzoato de denatonio Bitrex Denatonium benzoate Denatonium benzoate anhydrous Denatonium benzoate hydrate Denatonium benzoate monohydrate ECX-95BY Lidocaine benzyl benzoate Lidocaine benzyl benzoate hydrate Lignocaine benzyl benzoate NSC-157658 +2 more

Targets

Activities

Assay Types

PK Parameters

Publications

Known Names

Molecular Properties

325.5

MW (Da)

4.30

ALogP

HBA

HBD

29.1

PSA (Å²)

0.76

QED

Ro5 Violations

Rot. Bonds

Drug Information

Molecule Type	Small molecule
Chirality	Achiral

USAN Stem	-ium; -onium
USAN Year	1965

Extended Properties

Molecular Formula	C28H36N2O4
MW	464.61
Aromatic Rings	2
Heavy Atoms	24
NP-Likeness	-0.62

Activity Summary

EC50 1 meas. best 4.16

Target Activity Profile

Target	Type	Best pChEMBL	Mean pChEMBL	Best (nM)	# Data
Taste receptor type 2 member 10 CHEMBL3559704	EC50	4.16	4.16	70000.0	1

Activity Data Samples

Top measurements by pChEMBL value

Target	Type	Rel.	Value	Units	pChEMBL	Assay	PubMed
Taste receptor type 2 member 10	EC50	=	70000.0	nM	4.16	Activity at human TAS2R10 expressed in HEK-293T-Galpha16-gustducin44 cells asses...	-

Literature References

PubMed	DOI	Target Context	# Activities
-	10.6019/CHEMBL4495565	SARS-CoV-2	2
-	10.1101/2020.04.03.023846	SARS-CoV-2	1
-	10.21203/rs.3.rs-23951/v1	SARS-CoV-2	1
-	10.6019/CHEMBL4495564	Replicase polyprotein 1ab	1

Data from ChEMBL 36 via Core Engine