Compound Detail

CHEMBL191534

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CCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCC(=O)NCCc1c[nH]c2ccc(O)cc12

ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID	CHEMBL191534
Phase	Preclinical
Structure Type	MOL
InChI Key	QJDNHGXNNRLIGA-DOFZRALJSA-N

Targets

Activities

Assay Types

PK Parameters

Publications

Known Names

462.7

MW (Da)

7.68

ALogP

HBA

HBD

65.1

PSA (Å²)

0.17

QED

Ro5 Violations

Rot. Bonds

First in Class Prodrug

IC50 10 meas. best 6.58

Target	Type	Best pChEMBL	Mean pChEMBL	Best (nM)	# Data
Transient receptor potential cation channel subfamily V member 1 CHEMBL4794	IC50	6.58	6.05	261.5	3
Fatty-acid amide hydrolase 1 CHEMBL3229	IC50	5.92	5.51	1200.0	2
Prostaglandin G/H synthase 2 CHEMBL230	IC50	5.3	5.3	5000.0	1
Fatty-acid amide hydrolase 1 CHEMBL2243	IC50	5.25	5.0	5600.0	4

Top measurements by pChEMBL value

Target	Type	Rel.	Value	Units	pChEMBL	Assay	PubMed
Transient receptor potential cation channel subfamily V member 1	IC50	=	261.5	nM	6.58	Antagonist activity at human TRPV1 receptor assessed as inhibition of TRPV1 chan...	38325006
Transient receptor potential cation channel subfamily V member 1	IC50	=	270.0	nM	6.57	Antagonist activity at human recombinant TRPV1 receptor expressed in HEK293 cell...	18027904
Fatty-acid amide hydrolase 1	IC50	=	1200.0	nM	5.92	Inhibition of rat brain FAAH using [3H]AEA as substrate	28535469
Prostaglandin G/H synthase 2	IC50	=	5000.0	nM	5.3	Inhibition of human recombinant COX2 assessed as inhibition of ADHP to fluoresce...	25467164
Fatty-acid amide hydrolase 1	IC50	=	5600.0	nM	5.25	Inhibition of FAAH (unknown origin)	31407888
Fatty-acid amide hydrolase 1	IC50	=	8000.0	nM	5.1	Inhibition of rat brain FAAH assessed by measuring [14C]anandamide hydrolysis af...	18027904
Fatty-acid amide hydrolase 1	IC50	=	9450.0	nM	5.03	Inhibition of human FAAH by fluorescence-based cayman assay	38325006
Transient receptor potential cation channel subfamily V member 1	IC50	=	10000.0	nM	5.0	Inhibition of human TRPV1 overexpressed in BEAS-2B cells assessed as calcium flu...	25467164
Fatty-acid amide hydrolase 1	IC50	=	12000.0	nM	4.92	Inhibitory concentration against fatty acid amide hydrolase	16078824
Fatty-acid amide hydrolase 1	IC50	=	16000.0	nM	4.8	Inhibition of human recombinant FAAH using AMC arachidonoyl amide as substrate b...	25467164

PubMed	DOI	Target Context	# Activities
25467164	10.1016/j.bmcl.2014.10.064	Fatty-acid amide hydrolase 1	2
38325006	10.1016/j.ejmech.2024.116208	Mus musculus	2
26850005	10.1016/j.bmcl.2016.01.071	Transient receptor potential cation channel subfamily V member 1	2
25467164	10.1016/j.bmcl.2014.10.064	Prostaglandin G/H synthase 2	2
19875281	10.1016/j.bmcl.2009.09.033	Fatty-acid amide hydrolase 1	1
19875281	10.1016/j.bmcl.2009.09.033	Transient receptor potential cation channel subfamily A member 1	1
23206861	10.1016/j.bmcl.2012.10.137	Transient receptor potential cation channel subfamily V member 1	1
23206861	10.1016/j.bmcl.2012.10.137	Fatty-acid amide hydrolase 1	1
16078824	10.1021/jm058183t	Fatty-acid amide hydrolase 1	1
18027904	10.1021/jm070678q	Mus musculus	1
25467164	10.1016/j.bmcl.2014.10.064	Transient receptor potential cation channel subfamily V member 1	1
18027904	10.1021/jm070678q	Transient receptor potential cation channel subfamily V member 1	1
28535469	10.1016/j.ejmech.2017.05.033	Fatty-acid amide hydrolase 1	1
31407888	10.1021/acs.jmedchem.9b00885	Fatty-acid amide hydrolase 1	1
38325006	10.1016/j.ejmech.2024.116208	Transient receptor potential cation channel subfamily V member 1	1
38325006	10.1016/j.ejmech.2024.116208	Fatty-acid amide hydrolase 1	1
18027904	10.1021/jm070678q	Fatty-acid amide hydrolase 1	1

Data from ChEMBL 36 via Core Engine