Compound Detail

CHEMBL26495

Enter ChEMBL ID:

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

c1ccc(C2(c3ccccc3)Sc3ccccc3-n3cccc32)cc1

ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID	CHEMBL26495
Phase	Preclinical
Structure Type	MOL
InChI Key	ZBNHISGECXNIIA-UHFFFAOYSA-N

Targets

Activities

Assay Types

PK Parameters

Publications

Known Names

339.5

MW (Da)

5.87

ALogP

HBA

HBD

4.9

PSA (Å²)

0.44

QED

Ro5 Violations

Rot. Bonds

First in Class Prodrug

IC50 2 meas. best 6.33

Ki 1 meas. best 6.75

Target	Type	Best pChEMBL	Mean pChEMBL	Best (nM)	# Data
Voltage-gated L-type calcium channel CHEMBL2095177	Ki	6.75	6.75	178.0	1
Voltage-gated L-type calcium channel CHEMBL2095177	IC50	6.33	6.33	465.0	1
Voltage-dependent L-type calcium channel subunit alpha-1D CHEMBL4132	IC50	6.33	6.33	467.7	1

Top measurements by pChEMBL value

Target	Type	Rel.	Value	Units	pChEMBL	Assay	PubMed
Voltage-gated L-type calcium channel	Ki	=	178.0	nM	6.75	Calcium antagonistic activity by measuring [3H]nitrendipine displacement at L-ty...	7473567
Voltage-gated L-type calcium channel	IC50	=	465.0	nM	6.33	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	=	467.74	nM	6.33	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