Compound Detail

CHEMBL1080983

FEBANTEL

🧪 Phase II

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🧪 Phase II

COCC(=O)Nc1cc(Sc2ccccc2)ccc1N=C(NC(=O)OC)NC(=O)OC

ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID	CHEMBL1080983
Name	FEBANTEL
Phase	Phase II
Structure Type	MOL
InChI Key	HMCCXLBXIJMERM-UHFFFAOYSA-N

BAY H 5757 BAY VH 5757 BAY-H-5757 BAY-VH-5757 BAYH-5757 BAYVH-5757 COMBOTEL Febantel Febantel for veterinary use NEGABOT PLUS PASTE ORATEL RINTAL

Targets

Activities

Assay Types

PK Parameters

Publications

Known Names

446.5

MW (Da)

3.12

ALogP

HBA

HBD

127.3

PSA (Å²)

0.46

QED

Ro5 Violations

Rot. Bonds

Molecule Type	Small molecule
Chirality	Achiral

USAN Stem	-antel
USAN Year	1977

EC50 3 meas. best 5.0

Target	Type	Best pChEMBL	Mean pChEMBL	Best (nM)	# Data
Nuclear receptor subfamily 1 group I member 2 CHEMBL3401	EC50	5.0	4.9	10000.0	2
Nuclear receptor subfamily 1 group I member 2 CHEMBL2146315	EC50	4.5	4.5	31600.0	1

Top measurements by pChEMBL value

Target	Type	Rel.	Value	Units	pChEMBL	Assay	PubMed
Nuclear receptor subfamily 1 group I member 2	EC50	=	10000.0	nM	5.0	Activation of human PXR expressed in human HepG2 (DPX-2) cells assessed as induc...	20966043
Nuclear receptor subfamily 1 group I member 2	EC50	=	15800.0	nM	4.8	Activation of human PXR expressed in human HepG2 (DPX-2) cells after 24 hrs by l...	20966043
Nuclear receptor subfamily 1 group I member 2	EC50	=	31600.0	nM	4.5	Activation of rat PXR expressed in human HepG2 cells after 24 hrs by luciferase ...	20966043

PubMed	DOI	Target Context	# Activities
20966043	10.1124/dmd.110.035105	Nuclear receptor subfamily 1 group I member 2	7
-	10.6019/CHEMBL4651402	SARS-CoV-2	2
19850474	10.1016/j.bmcl.2009.09.086	Fatty-acid amide hydrolase 1	1

Data from ChEMBL 36 via Core Engine