Compound Detail

CHEMBL360319

Enter ChEMBL ID:

Free Research Context This compound will appear in recent viewed items on the research home for this browser.

CN(C)c1cccc(CNCC2(F)CCN(C(=O)c3ccc(F)c(Cl)c3)CC2)n1

ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID	CHEMBL360319
Phase	Preclinical
Structure Type	MOL
InChI Key	KTNPWLGBAAFMNK-UHFFFAOYSA-N

Targets

Activities

Assay Types

PK Parameters

Publications

Known Names

422.9

MW (Da)

3.67

ALogP

HBA

HBD

48.5

PSA (Å²)

0.77

QED

Ro5 Violations

Rot. Bonds

First in Class Prodrug

Ki 3 meas. best 9.92

EC50 1 meas. best 8.44

Target	Type	Best pChEMBL	Mean pChEMBL	Best (nM)	# Data
5-hydroxytryptamine receptor 1A CHEMBL273	Ki	9.92	9.92	0.1	1
5-hydroxytryptamine receptor 1A CHEMBL214	EC50	8.44	8.44	3.6	1
Adrenergic receptor alpha-1 CHEMBL1907610	Ki	6.68	6.68	208.9	1
D(2) dopamine receptor CHEMBL339	Ki	6.56	6.56	275.4	1

Top measurements by pChEMBL value

Target	Type	Rel.	Value	Units	pChEMBL	Assay	PubMed
5-hydroxytryptamine receptor 1A	Ki	=	0.1202	nM	9.92	Binding affinity towards 5-hydroxytryptamine 1A receptor in rat cortex using [3H...	10229633
5-hydroxytryptamine receptor 1A	EC50	=	3.631	nM	8.44	In vitro effective concentration required to inhibit forskolin-stimulated cAMP l...	10229633
Adrenergic receptor alpha-1	Ki	=	208.93	nM	6.68	Binding affinity towards Alpha-1 adrenergic receptor using prazosin as a radioli...	10229633
D(2) dopamine receptor	Ki	=	275.42	nM	6.56	Binding affinity towards Dopamine receptor D2 in rat striatum using YM-09151-2 a...	10229633

PubMed	DOI	Target Context	# Activities
10229633	10.1021/jm9806906	Rattus norvegicus	5
10229633	10.1021/jm9806906	5-hydroxytryptamine receptor 1A	2
10229633	10.1021/jm9806906	D(2) dopamine receptor	1
10229633	10.1021/jm9806906	Adrenergic receptor alpha-1	1

Data from ChEMBL 36 via Core Engine