Compound Detail

CHEMBL375460

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CC(=O)Nc1nc2c(Oc3cc(C4CCC(C(F)(F)F)CC4)ncn3)cccc2s1

ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID	CHEMBL375460
Phase	Preclinical
Structure Type	MOL
InChI Key	KVKXOTNGUNPYBX-UHFFFAOYSA-N

Targets

Activities

Assay Types

PK Parameters

Publications

Known Names

436.5

MW (Da)

5.67

ALogP

HBA

HBD

77.0

PSA (Å²)

0.57

QED

Ro5 Violations

Rot. Bonds

First in Class Prodrug

IC50 3 meas. best 8.0

Target	Type	Best pChEMBL	Mean pChEMBL	Best (nM)	# Data
Transient receptor potential cation channel subfamily V member 1 CHEMBL5102	IC50	8.0	6.9733	10.0	3

Top measurements by pChEMBL value

Target	Type	Rel.	Value	Units	pChEMBL	Assay	PubMed
Transient receptor potential cation channel subfamily V member 1	IC50	=	10.0	nM	8.0	Inhibition of rat TRPV1 expressed in CHO cells assessed as acid-induced Ca2+ inf...	17585751
Transient receptor potential cation channel subfamily V member 1	IC50	=	350.0	nM	6.46	Inhibition of rat TRPV1 expressed in CHO cells assessed as capsaicin-induced Ca2...	17585751
Transient receptor potential cation channel subfamily V member 1	IC50	=	350.0	nM	6.46	Antagonist activity at rat TRPV1	34591488

PubMed	DOI	Target Context	# Activities
17585751	10.1021/jm070191h	Transient receptor potential cation channel subfamily V member 1	2
17585751	10.1021/jm070191h	No relevant target	1
34591488	10.1021/acs.jmedchem.1c01215	Transient receptor potential cation channel subfamily V member 1	1
34591488	10.1021/acs.jmedchem.1c01215	No relevant target	1

Data from ChEMBL 36 via Core Engine