BitterDB ID=674

Ofloxacin

BitterDB id=674
Detailed experimental validation described in the associated resource.

References for the compound bitterness

	Resource	Comment
[1]	Dotson CD, Zhang L, Xu H, Shin YK, Vigues S, et al. (2008). Bitter taste receptors influence glucose homeostasis. PLoS One 3(12): e3974. PubMed 19092995
[2]	Lei W. et al. Functional Analyses of Bitter Taste Receptors in Domestic Cats (Felis catus), PLOS ONE, 2015, 10(10) PubMed 26488302
[3]	Nolden A. A. Variation in TAS2R receptor genes explains differential bitterness of two common antibiotics, Frontiers in Genetics, 2022, 13 PubMed 35967977
[4]	Gibbs M. et al. Bitter taste sensitivity in domestic dogs (Canis familiaris) and its relevance to bitter deterrents of ingestion, PLOS ONE, 2022, 17(11) PubMed 36449493
[5]	Itoigawa A. et al. Evolutionary origins of bitter taste receptors in jawed vertebrates, Current Biology, 2024, 34(7), 271-272 PubMed 38593768
[6]	URL link

Known bitter receptors targets:

Receptor Name	Effective concentration (μM)	EC50 (μM)	References
hTas2r9		200.0	PubMed:19092995
fcTas2r2	4000.0		PubMed:26488302
cfTas2r2	690.0		PubMed:36449493
cpuTas2r1	5000.0		PubMed:38593768
hakTas2r1	5000.0		PubMed:38593768

Sensory data about the compound bitterness:

Sensory Data Type	Value	Reference
Bitter recognition threshold	0.38 [mM]	Reference
Bitter recognition threshold	0.387 [mM]	Reference

Properties:

Mol. Weight: 361.3700 [g/mol]	AlogP(octanol-water): 1.54400
# Hydrogen Bond Donor: 1	# Hydrogen Bond Acceptor: 6
# Aromatic Rings: 2	# Rings: 4
# Rotatable Bonds: 2
Rat Acute Oral LD50: 2300 [mg/kg B.W.]

Identifiers:

CAS Registry Number: 100986-85-4,100986-86-5,82419-36-1

Formula: C18H20FN3O4

SMILES:

Canonical SMILES:

InChI Key: GSDSWSVVBLHKDQ-UHFFFAOYSA-N

Links:

[1]	PubChem	4583
[2]	ZINC	ZINC000000537891	ZINC000000538273
[3]	DrugBank	DB01137