Compound Detail

CHEMBL226671

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FC(F)(F)c1ccc(-c2cc(Nc3ccc4c(c3)OCCO4)ncn2)cc1

ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID	CHEMBL226671
Phase	Preclinical
Structure Type	MOL
InChI Key	KOXDEKQHVGXXDD-UHFFFAOYSA-N

Targets

Activities

Assay Types

PK Parameters

Publications

Known Names

373.3

MW (Da)

4.68

ALogP

HBA

HBD

56.3

PSA (Å²)

0.72

QED

Ro5 Violations

Rot. Bonds

First in Class Prodrug

IC50 4 meas. best 6.92

Target	Type	Best pChEMBL	Mean pChEMBL	Best (nM)	# Data
Transient receptor potential cation channel subfamily V member 1 CHEMBL4794	IC50	6.92	6.76	120.0	2
Transient receptor potential cation channel subfamily V member 1 CHEMBL5102	IC50	6.37	6.145	430.0	2

Top measurements by pChEMBL value

Target	Type	Rel.	Value	Units	pChEMBL	Assay	PubMed
Transient receptor potential cation channel subfamily V member 1	IC50	=	120.0	nM	6.92	Antagonist activity at human TRPV1 expressed in CHO cells assessed as inhibition...	17585749
Transient receptor potential cation channel subfamily V member 1	IC50	=	250.0	nM	6.6	Antagonist activity at human TRPV1 expressed in CHO cells assessed as inhibition...	17585749
Transient receptor potential cation channel subfamily V member 1	IC50	=	430.0	nM	6.37	Antagonist activity at rat TRPV1 expressed in CHO cells assessed as inhibition o...	17585749
Transient receptor potential cation channel subfamily V member 1	IC50	=	1200.0	nM	5.92	Antagonist activity at rat TRPV1 expressed in CHO cells assessed as inhibition o...	17585749

PubMed	DOI	Target Context	# Activities
17585749	10.1021/jm070189q	Transient receptor potential cation channel subfamily V member 1	5

Data from ChEMBL 36 via Core Engine