Compound Detail

CHEMBL204188

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O=c1c2nn(-c3ccccc3Cl)c(-c3ccc(Cl)cc3)c2ncn1CC(F)(F)F

ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID	CHEMBL204188
Phase	Preclinical
Structure Type	MOL
InChI Key	KRDSFDHCRNWEMI-UHFFFAOYSA-N

Targets

Activities

Assay Types

PK Parameters

Publications

Known Names

439.2

MW (Da)

5.12

ALogP

HBA

HBD

52.7

PSA (Å²)

0.45

QED

Ro5 Violations

Rot. Bonds

First in Class Prodrug

Ki 2 meas. best 10.0

Target	Type	Best pChEMBL	Mean pChEMBL	Best (nM)	# Data
Cannabinoid receptor 1 CHEMBL218	Ki	10.0	9.76	0.1	2

Parameter	Value	Units	Species
CL	45.0	mL.min-1.kg-1	Rattus norvegicus
CL	0.54	mL.min-1.kg-1	Canis lupus familiaris
F	62.0	%	Rattus norvegicus
T1/2	2.6	hr	Rattus norvegicus
T1/2	223.0	hr	Canis lupus familiaris

Top measurements by pChEMBL value

Target	Type	Rel.	Value	Units	pChEMBL	Assay	PubMed
Cannabinoid receptor 1	Ki	=	0.1	nM	10.0	Functional activity at human CB1 receptor transfected in CHOK1 cells by [35SGTP]...	16263283
Cannabinoid receptor 1	Ki	=	0.3	nM	9.52	Displacement of [3H]SR-141716 from human CB1 receptor transfected in HEK293 cell...	16263283

PubMed	DOI	Target Context	# Activities
16263283	10.1016/j.bmcl.2005.10.019	Rattus norvegicus	7
16263283	10.1016/j.bmcl.2005.10.019	Canis familiaris	3
16263283	10.1016/j.bmcl.2005.10.019	Cannabinoid receptor 1	2
16263283	10.1016/j.bmcl.2005.10.019	Cannabinoid receptor 2	1
16263283	10.1016/j.bmcl.2005.10.019	Mus musculus	1

Data from ChEMBL 36 via Core Engine