Compound Detail

CHEMBL323782

Enter ChEMBL ID:

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

CCOC(=O)C1=C(C)N=C(C)/C(=C(/O)OCC)C1c1c(C)noc1CCc1ccccc1

ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID	CHEMBL323782
Phase	Preclinical
Structure Type	MOL
InChI Key	CRLMTSNPZQVYBD-DARPEHSRSA-N

Targets

Activities

Assay Types

PK Parameters

Publications

Known Names

438.5

MW (Da)

4.97

ALogP

HBA

HBD

94.2

PSA (Å²)

0.46

QED

Ro5 Violations

Rot. Bonds

First in Class Prodrug

Ki 2 meas. best 7.64

IC50 1 meas. best 5.75

Target	Type	Best pChEMBL	Mean pChEMBL	Best (nM)	# Data
Voltage-dependent L-type calcium channel subunit alpha-1C CHEMBL1940	Ki	7.64	7.64	22.9	1
Voltage-dependent L-type calcium channel subunit alpha-1C CHEMBL3762	Ki	7.6	7.6	24.9	1
Unchecked CHEMBL612545	IC50	5.75	5.75	1790.0	1

Top measurements by pChEMBL value

Target	Type	Rel.	Value	Units	pChEMBL	Assay	PubMed
Voltage-dependent L-type calcium channel subunit alpha-1C	Ki	=	22.9	nM	7.64	Displacement of [3H](+)-PN200-110 binding to calcium channels in guinea pig card...	10447952
Voltage-dependent L-type calcium channel subunit alpha-1C	Ki	=	24.9	nM	7.6	Displacement of [3H](+)-PN200-110 binding from calcium channels of rat cardiac m...	10447952
Unchecked	IC50	=	1790.0	nM	5.75	Inhibition of L-type calcium channel subunits alpha1C, beta1b, and alpha2-delta ...	12502362

PubMed	DOI	Target Context	# Activities
12502362	10.1021/jm020354w	Unchecked	3
10447952	10.1021/jm980439q	Voltage-dependent L-type calcium channel subunit alpha-1C	2
10447952	10.1021/jm980439q	ADMET	2

Data from ChEMBL 36 via Core Engine