Compound Detail

CHEMBL3822592

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Cc1cccc(N(C(=O)NCc2ccc(C(F)(F)F)nc2N2CCC(C)CC2)c2ccc(NS(C)(=O)=O)c(F)c2)c1

ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID	CHEMBL3822592
Phase	Preclinical
Structure Type	MOL
InChI Key	ZLIFMSDWHKHPMG-UHFFFAOYSA-N

Targets

Activities

Assay Types

PK Parameters

Publications

Known Names

593.6

MW (Da)

6.20

ALogP

HBA

HBD

94.6

PSA (Å²)

0.32

QED

Ro5 Violations

Rot. Bonds

First in Class Prodrug

Ki 3 meas. best 6.31

Target	Type	Best pChEMBL	Mean pChEMBL	Best (nM)	# Data
Transient receptor potential cation channel subfamily V member 1 CHEMBL4794	Ki	6.31	6.0133	490.0	3

Top measurements by pChEMBL value

Target	Type	Rel.	Value	Units	pChEMBL	Assay	PubMed
Transient receptor potential cation channel subfamily V member 1	Ki	=	490.0	nM	6.31	Displacement of [3H]-resiniferatoxin from human TRPV1 expressed in CHO cells inc...	27317643
Transient receptor potential cation channel subfamily V member 1	Ki	=	860.0	nM	6.07	Antagonist activity at human TRPV1 expressed in CHO cells assessed as inhibition...	27317643
Transient receptor potential cation channel subfamily V member 1	Ki	=	2200.0	nM	5.66	Antagonist activity at human TRPV1 expressed in CHO cells assessed as inhibition...	27317643

PubMed	DOI	Target Context	# Activities
27317643	10.1016/j.bmcl.2016.06.010	Transient receptor potential cation channel subfamily V member 1	4

Data from ChEMBL 36 via Core Engine