Compound Detail

CHEMBL490470

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CCCCCC(=O)O[C@@H]1[C@@H](C)[C@@]2(O)[C@@H](C=C(CO)C[C@@]3(O)C(=O)C(C)=C[C@@H]23)[C@@H]2C(C)(C)[C@]12OC(=O)CCCCC

ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID	CHEMBL490470
Phase	Preclinical
Structure Type	MOL
InChI Key	XGPRSRGBAHBMAF-QYSBVNMQSA-N

Targets

Activities

Assay Types

PK Parameters

Publications

Known Names

560.7

MW (Da)

4.19

ALogP

HBA

HBD

130.4

PSA (Å²)

0.19

QED

Ro5 Violations

Rot. Bonds

First in Class Prodrug

EC50 4 meas. best 7.16

Target	Type	Best pChEMBL	Mean pChEMBL	Best (nM)	# Data
Transient receptor potential cation channel subfamily V member 4 CHEMBL6126	EC50	7.16	6.175	70.0	4

Top measurements by pChEMBL value

Target	Type	Rel.	Value	Units	pChEMBL	Assay	PubMed
Transient receptor potential cation channel subfamily V member 4	EC50	=	70.0	nM	7.16	Activation of mouse wild type TRPV4 expressed in HEK293 cells assessed as increa...	19361196
Transient receptor potential cation channel subfamily V member 4	EC50	=	360.0	nM	6.44	Activation of mouse TRPV4 S557A mutant expressed in HEK293 cells assessed as inc...	19361196
Transient receptor potential cation channel subfamily V member 4	EC50	=	2790.0	nM	5.55	Activation of mouse TRPV4 Y556A mutant expressed in HEK293 cells assessed as inc...	19361196
Transient receptor potential cation channel subfamily V member 4	EC50	=	2840.0	nM	5.55	Activation of mouse TRPV4 W586A mutant expressed in HEK293 cells assessed as inc...	19361196

PubMed	DOI	Target Context	# Activities
19361196	10.1021/jm9001007	Transient receptor potential cation channel subfamily V member 4	8
19361196	10.1021/jm9001007	HEK293	1

Data from ChEMBL 36 via Core Engine