Compound Detail

CHEMBL278171

Enter ChEMBL ID:

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

Clc1cccc2c1SC(c1ccccc1)(c1ccccc1)c1cccn1-2

ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID	CHEMBL278171
Phase	Preclinical
Structure Type	MOL
InChI Key	JBFXROGEDAOQSM-UHFFFAOYSA-N

Targets

Activities

Assay Types

PK Parameters

Publications

Known Names

373.9

MW (Da)

6.53

ALogP

HBA

HBD

4.9

PSA (Å²)

0.39

QED

Ro5 Violations

Rot. Bonds

First in Class Prodrug

IC50 2 meas. best 6.5

Ki 1 meas. best 6.92

Target	Type	Best pChEMBL	Mean pChEMBL	Best (nM)	# Data
Voltage-gated L-type calcium channel CHEMBL2095177	Ki	6.92	6.92	120.0	1
Voltage-gated L-type calcium channel CHEMBL2095177	IC50	6.5	6.5	320.0	1
Voltage-dependent L-type calcium channel subunit alpha-1D CHEMBL4132	IC50	6.5	6.5	316.2	1

Top measurements by pChEMBL value

Target	Type	Rel.	Value	Units	pChEMBL	Assay	PubMed
Voltage-gated L-type calcium channel	Ki	=	120.0	nM	6.92	Calcium antagonistic activity by measuring [3H]nitrendipine displacement at L-ty...	7473567
Voltage-gated L-type calcium channel	IC50	=	320.0	nM	6.5	Inhibition of [3H]nitrendipine binding at L-type [Ca2+] channel in rat cortex ho...	7473567
Voltage-dependent L-type calcium channel subunit alpha-1D	IC50	=	316.23	nM	6.5	Inhibition of [3H]nitrendipine binding to L-type [Ca2+] channel in rat cortex ho...	9016337

PubMed	DOI	Target Context	# Activities
7473567	10.1021/jm00022a005	Voltage-gated L-type calcium channel	2
9016337	10.1021/jm9605647	Voltage-dependent L-type calcium channel subunit alpha-1D	1

Data from ChEMBL 36 via Core Engine