Compound Detail

CHEMBL3740351

Enter ChEMBL ID:

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

CCOc1ccccc1N1CCN(CCc2ccc(CN3C(=O)c4ccccc4C3=O)cc2)CC1

ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID	CHEMBL3740351
Phase	Preclinical
Structure Type	MOL
InChI Key	QSDSOTZIODPCOC-UHFFFAOYSA-N

Targets

Activities

Assay Types

PK Parameters

Publications

Known Names

469.6

MW (Da)

4.25

ALogP

HBA

HBD

53.1

PSA (Å²)

0.46

QED

Ro5 Violations

Rot. Bonds

First in Class Prodrug

IC50 3 meas. best 7.49

Target	Type	Best pChEMBL	Mean pChEMBL	Best (nM)	# Data
Alpha-1A adrenergic receptor CHEMBL229	IC50	7.49	7.49	32.4	1
Alpha-1D adrenergic receptor CHEMBL223	IC50	6.62	6.62	239.9	1
Alpha-1B adrenergic receptor CHEMBL232	IC50	6.36	6.36	433.3	1

Top measurements by pChEMBL value

Target	Type	Rel.	Value	Units	pChEMBL	Assay	PubMed
Alpha-1A adrenergic receptor	IC50	=	32.43	nM	7.49	Antagonist activity at adrenergic alpha1A receptor (unknown origin) by firefly a...	26643219
Alpha-1D adrenergic receptor	IC50	=	239.9	nM	6.62	Antagonist activity at adrenergic alpha1D receptor (unknown origin) by firefly a...	26643219
Alpha-1B adrenergic receptor	IC50	=	433.3	nM	6.36	Antagonist activity at adrenergic alpha1B receptor (unknown origin) by firefly a...	26643219

PubMed	DOI	Target Context	# Activities
26643219	10.1016/j.bmc.2015.11.020	Unchecked	2
26643219	10.1016/j.bmc.2015.11.020	Alpha-1A adrenergic receptor	1
26643219	10.1016/j.bmc.2015.11.020	Alpha-1B adrenergic receptor	1
26643219	10.1016/j.bmc.2015.11.020	Alpha-1D adrenergic receptor	1

Data from ChEMBL 36 via Core Engine