Compound Detail

CHEMBL126075

DILAZEP

🧪 Phase II

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🧪 Phase II

COc1cc(C(=O)OCCCN2CCCN(CCCOC(=O)c3cc(OC)c(OC)c(OC)c3)CC2)cc(OC)c1OC

ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID	CHEMBL126075
Name	DILAZEP
Phase	Phase II
Structure Type	MOL
InChI Key	QVZCXCJXTMIDME-UHFFFAOYSA-N

Known Names

Dilazep

Targets

Activities

Assay Types

PK Parameters

Publications

Known Names

Indications

Molecular Properties

604.7

MW (Da)

3.54

ALogP

HBA

HBD

114.5

PSA (Å²)

0.21

QED

Ro5 Violations

Rot. Bonds

Drug Information

Molecule Type	Small molecule
Chirality	Achiral

Extended Properties

Molecular Formula	C31H44N2O10
MW	604.70
Aromatic Rings	2
Heavy Atoms	43
NP-Likeness	-0.33

Indications

Cardiovascular Diseases

ATC Classification

C01DX10

dilazep

Level 1: CARDIOVASCULAR SYSTEM

Level 2: CARDIAC THERAPY

Activity Summary

IC50 7 meas. best 10.0

Target Activity Profile

Target	Type	Best pChEMBL	Mean pChEMBL	Best (nM)	# Data
Equilibrative nucleoside transporter 1 CHEMBL1997	IC50	10.0	8.88	0.1	2
Sodium channel alpha subunits; brain (Types I, II, III) CHEMBL2096682	IC50	6.22	6.22	600.0	1
Equilibrative nucleoside transporter 2 CHEMBL1287614	IC50	5.06	5.06	8800.0	1
Unchecked CHEMBL612545	IC50	4.99	4.865	10157.1	2
ATP-binding cassette sub-family C member 4 CHEMBL1743128	IC50	4.7	4.7	20000.0	1

Activity Data Samples

Top measurements by pChEMBL value

Target	Type	Rel.	Value	Units	pChEMBL	Assay	PubMed
Equilibrative nucleoside transporter 1	IC50	=	0.1	nM	10.0	Inhibition of the equilibrative nucleoside transporter (ENT1, SLC29A1) as assess...	31551431
Equilibrative nucleoside transporter 1	IC50	=	17.5	nM	7.76	Inhibition of human ENT1 expressed in porcine PK15NTD cells by cell-based [3H]5-...	25454272
Sodium channel alpha subunits; brain (Types I, II, III)	IC50	=	600.0	nM	6.22	Inhibition of binding of Batrachotoxinin [3H]BTX-B to high affinity sites on vol...	2579237
Equilibrative nucleoside transporter 2	IC50	=	8800.0	nM	5.06	Inhibition of rat ENT2 expressed in rat H9c2 cells by cell-based 3H[5-]uridine u...	25454272
Unchecked	IC50	=	10157.06	nM	4.99	PubChem BioAssay. insulin secretion from INS-1E cells in the presence of 5 mM gl...	-
Unchecked	IC50	=	18018.8	nM	4.74	PubChem BioAssay. insulin secretion from INS-1E cells in the presence of 0.1 mM ...	-
ATP-binding cassette sub-family C member 4	IC50	=	20000.0	nM	4.7	TP_TRANSPORTER: inhibition of 9-(2-phosphonomethoxyethyl)adenine(PMEA) efflux (P...	12695538

Literature References

PubMed	DOI	Target Context	# Activities
-	10.6019/CHEMBL4651402	SARS-CoV-2	4
37468498	10.1038/s41467-023-40064-9	Alpha-1A adrenergic receptor	3
37468498	10.1038/s41467-023-40064-9	5-hydroxytryptamine receptor 2A	3
-	10.6019/CHEMBL4651402	Vero C1008	2
37468498	10.1038/s41467-023-40064-9	Gamma-aminobutyric acid receptor subunit alpha-1	2
37468498	10.1038/s41467-023-40064-9	5-hydroxytryptamine receptor 1A	2
37468498	10.1038/s41467-023-40064-9	Beta-2 adrenergic receptor	2
37468498	10.1038/s41467-023-40064-9	5-hydroxytryptamine receptor 2B	2
-	10.6019/CHEMBL4808148	Histone deacetylase 6	2
2579237	10.1021/jm00381a019	Sodium channel alpha subunits; brain (Types I, II, III)	2
37468498	10.1038/s41467-023-40064-9	Muscarinic acetylcholine receptor M2	2
37468498	10.1038/s41467-023-40064-9	Alpha-2A adrenergic receptor	2
19932971	10.1016/j.bmc.2009.10.052	Liver carboxylesterase 1	2
-	10.1101/2020.04.21.054387	SARS-CoV-2	1
31551431	10.1038/s41598-019-48829-3	Equilibrative nucleoside transporter 1	1
37468498	10.1038/s41467-023-40064-9	Voltage-gated inwardly rectifying potassium channel KCNH2	1
24332655	10.1016/j.bmc.2013.11.049	Unchecked	1
37468498	10.1038/s41467-023-40064-9	Beta-1 adrenergic receptor	1
12695538	10.1124/mol.63.5.1094	ATP-binding cassette sub-family C member 5	1
38318365	10.1016/j.isci.2024.108907	Deoxynucleoside triphosphate triphosphohydrolase SAMHD1	1

Data from ChEMBL 36 via Core Engine