Compound Detail

CHEMBL1697

DILTIAZEM HYDROCHLORIDE

💊 Approved Drug

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💊 Approved Drug

COc1ccc([C@@H]2Sc3ccccc3N(CCN(C)C)C(=O)[C@@H]2OC(C)=O)cc1.Cl

ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID	CHEMBL1697
Name	DILTIAZEM HYDROCHLORIDE
Phase	Approved
Structure Type	MOL
InChI Key	HDRXZJPWHTXQRI-BHDTVMLSSA-N
Therapeutic	✓ Yes
Parent Compound	CHEMBL23
Active Moiety	CHEMBL23

Known Names

Adizem Adizem-60 Adizem-sr Adizem-xl Altiazem Angiozem 60 Angiozem cr 120 Angiozem cr 90 Angitil sr 120 Angitil sr 180 Angitil sr 90 Angitil xl 240 +18 more

Targets

Activities

Assay Types

PK Parameters

Publications

Known Names

Indications

Mechanisms

Molecular Properties

414.5

MW (Da)

3.37

ALogP

HBA

HBD

59.1

PSA (Å²)

0.68

QED

Ro5 Violations

Rot. Bonds

Drug Information

Molecule Type	Small molecule
First Approval	1982
Availability	Prescription
Chirality	Single Enantiomer

Routes of Administration

Oral Parenteral

USAN Stem	-tiazem
USAN Year	1977

Extended Properties

Molecular Formula	C22H27ClN2O4S
MW	450.99
Aromatic Rings	2
Heavy Atoms	29
NP-Likeness	-0.13

Mechanism of Action

Mechanism	Action Type	Target	Direct	Efficacy
Voltage-gated L-type calcium channel blocker	BLOCKER	Voltage-gated L-type calcium channel	✓	✓

Indications

Angina Pectoris Angina, Stable Atrial Fibrillation Coronary Vasospasm Hypertension Syndrome Fissure in Ano Heart Failure Constipation HIV Infections Skin Diseases Colorectal Neoplasms

Activity Summary

IC50 2 meas. best 4.76

Kd 2 meas. best 7.3

EC50 1 meas. best 5.07

Target Activity Profile

Target	Type	Best pChEMBL	Mean pChEMBL	Best (nM)	# Data
Cavia porcellus CHEMBL369	Kd	7.3	6.84	50.1	2
NON-PROTEIN TARGET CHEMBL3879801	EC50	5.07	5.07	8500.0	1
Voltage-gated inwardly rectifying potassium channel KCNH2 CHEMBL240	IC50	4.76	4.76	17378.0	1
Bile salt export pump CHEMBL6020	IC50	4.09	4.09	82020.0	1

Pharmacokinetic Data

Parameter	Value	Units	Species
Fu	0.22	-	Homo sapiens
T1/2	13.1	hr	Homo sapiens

Activity Data Samples

Top measurements by pChEMBL value

Target	Type	Rel.	Value	Units	pChEMBL	Assay	PubMed
Cavia porcellus	Kd	=	50.12	nM	7.3	Calcium antagonistic activity in isolated guinea pig Tenia coli specimens; (SE +...	2374146
Cavia porcellus	Kd	=	416.87	nM	6.38	pA2 was measured as Calcium antagonistic activity 30 min after administration	3701791
NON-PROTEIN TARGET	EC50	=	8500.0	nM	5.07	Antiviral activity against JC polyomavirus M1/SVEdelta infected in human SVG-A c...	19258267
Voltage-gated inwardly rectifying potassium channel KCNH2	IC50	=	17378.01	nM	4.76	Inhibition of human ERG	21185626
Bile salt export pump	IC50	=	82020.0	nM	4.09	Inhibition of human BSEP expressed in baculovirus transfected fall armyworm Sf21...	22961681

Literature References

PubMed	DOI	Target Context	# Activities
-	10.1101/2024.03.28.586928	ADMET	100
3701791	10.1021/jm00155a037	Canis familiaris	12
-	10.6019/CHEMBL5303304	Fibroblast	7
-	10.6019/CHEMBL5303304	HEK-293T	5
14971904	10.1021/jm030408h	ADMET	2
-	10.6019/CHEMBL4495565	SARS-CoV-2	2
-	10.6019/CHEMBL4808148	Histone deacetylase 6	2
19258267	10.1128/aac.01614-08	ADMET	2
-	10.6019/CHEMBL5303304	U2OS	2
3701791	10.1021/jm00155a037	Cavia porcellus	2
2374146	10.1021/jm00170a024	Canis familiaris	2
3701791	10.1021/jm00155a037	Mus musculus	1
19258267	10.1128/aac.01614-08	NON-PROTEIN TARGET	1
19258267	10.1128/aac.01614-08	Brain	1
19258267	10.1128/aac.01614-08	Plasma	1
21185626	10.1016/j.ejmech.2010.11.042	Voltage-gated inwardly rectifying potassium channel KCNH2	1
2374146	10.1021/jm00170a024	ADMET	1
2374146	10.1021/jm00170a024	Cavia porcellus	1
23571415	10.1124/mol.112.084152	Solute carrier organic anion transporter family member 1B3	1
23571415	10.1124/mol.112.084152	Solute carrier organic anion transporter family member 1B1	1

Data from ChEMBL 36 via Core Engine