Compound Detail
CHEMBL6622
ISOSORBIDE DINITRATE 💊 Approved Drug
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💊 Approved Drug
Basic Information
| ChEMBL ID | CHEMBL6622 |
| Name | ISOSORBIDE DINITRATE |
| Phase | Approved |
| Structure Type | MOL |
| InChI Key | MOYKHGMNXAOIAT-JGWLITMVSA-N |
| Therapeutic | ✓ Yes |
| Active Moiety | CHEMBL1200689 |
4
Targets
5
Activities
1
Assay Types
9
PK Parameters
20
Publications
30
Known Names
9
Indications
1
Mechanisms
Molecular Properties
236.1
MW (Da)
-1.06
ALogP
8
HBA
0
HBD
123.2
PSA (Ų)
0.45
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| First Approval | 1986 |
| Availability | Prescription |
| Chirality | Single Enantiomer |
Mechanism of Action
| Mechanism | Action Type | Target | Direct | Efficacy |
|---|---|---|---|---|
| Soluble guanylate cyclase activator | ACTIVATOR | Soluble guanylate cyclase | ✓ | ✓ |
Indications
Angina Pectoris Cardiovascular Diseases Coronary Artery Disease Hemorrhoids Diabetic Foot Myocardial Ischemia Heart Failure Heart Failure Muscular Dystrophy, Duchenne
ATC Classification
C01DA08
isosorbide dinitrate
Level 1: CARDIOVASCULAR SYSTEM
Level 2: CARDIAC THERAPY
C01DA58
isosorbide dinitrate, combinations
Level 1: CARDIOVASCULAR SYSTEM
Level 2: CARDIAC THERAPY
C05AE02
isosorbide dinitrate
Level 1: CARDIOVASCULAR SYSTEM
Level 2: VASOPROTECTIVES
Activity Summary
EC50 5 meas. best 6.38
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Artery CHEMBL613433 | EC50 | 6.38 | 6.38 | 420.0 | 1 |
| Molecular identity unknown CHEMBL612546 | EC50 | 6.37 | 6.37 | 424.0 | 1 |
| Rattus norvegicus CHEMBL376 | EC50 | 5.33 | 4.795 | 4700.0 | 2 |
| Aorta CHEMBL613606 | EC50 | 4.6 | 4.6 | 25200.0 | 1 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| AUC | 9256.69 | ng.hr.mL-1 | Mus musculus |
| CL | 59.0 | mL.min-1.kg-1 | Macaca |
| CL | 118.0 | mL.min-1.kg-1 | Rattus norvegicus |
| CL | 180.0 | mL.min-1.kg-1 | Canis lupus familiaris |
| CL | 3.6 | mL.min-1.kg-1 | Homo sapiens |
| CL | 31.0 | mL.min-1.kg-1 | Homo sapiens |
| Fu | 0.72 | - | Homo sapiens |
| MRT | 1.0 | hr | Homo sapiens |
| T1/2 | 1.69 | hr | Homo sapiens |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Artery | EC50 | = | 420.0 | nM | 6.38 | Vasorelaxation activity in PGF2-alpha-precontracted pig pulmonary artery | 18232655 |
| Molecular identity unknown | EC50 | = | 424.0 | nM | 6.37 | Vasodilatory effect in pig pulmonary artery assessed as inhibition of PGF2-alpha... | 17855086 |
| Rattus norvegicus | EC50 | = | 4700.0 | nM | 5.33 | Vasodilation of phenylephrine-induced contraction in Wistar rat aorta | 17335184 |
| Aorta | EC50 | = | 25200.0 | nM | 4.6 | Vasorelaxant activity in rat aortic rings assessed as reduction of norepinephrin... | 22512543 |
| Rattus norvegicus | EC50 | = | 55000.0 | nM | 4.26 | Vasodilation of phenylephrine-induced contraction in Wistar rat aorta in the pre... | 17335184 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 22194678 | 10.1371/journal.pcbi.1002310 | Hepatotoxicity | 14 |
| 15646539 | 10.1016/s0399-8320(04)95062-2 | Unchecked | 11 |
| 37971897 | 10.1021/acs.jmedchem.3c01421 | H9c2 | 9 |
| 15646539 | 10.1016/s0399-8320(04)95062-2 | NON-PROTEIN TARGET | 8 |
| 15920768 | 10.1002/jps.20373 | ADMET | 8 |
| 18426954 | 10.1124/dmd.108.020479 | ADMET | 4 |
| 15027876 | 10.1021/jm030544m | Unchecked | 4 |
| 20014752 | 10.1021/tx900326k | Hepatotoxicity | 3 |
| 37971897 | 10.1021/acs.jmedchem.3c01421 | ADMET | 3 |
| 37971897 | 10.1021/acs.jmedchem.3c01421 | Mus musculus | 3 |
| 17335184 | 10.1021/jm0607247 | Rattus norvegicus | 3 |
| - | 10.6019/CHEMBL4808148 | Histone deacetylase 6 | 2 |
| 27508879 | 10.1016/j.ejmech.2016.07.039 | No relevant target | 2 |
| 17855086 | 10.1016/j.bmcl.2007.08.046 | Molecular identity unknown | 2 |
| 27508879 | 10.1016/j.ejmech.2016.07.039 | Mycobacterium tuberculosis | 2 |
| - | 10.6019/CHEMBL4495565 | SARS-CoV-2 | 2 |
| 15027876 | 10.1021/jm030544m | 143B | 2 |
| 26948801 | 10.1016/j.drudis.2016.02.015 | Homo sapiens | 2 |
| 12620076 | 10.1021/jm020299r | 143B | 2 |
| 12620076 | 10.1021/jm020299r | Rattus norvegicus | 2 |
Data from ChEMBL 36 via Core Engine