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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL1311
CHEMBL1311
Compound Name ISOSORBIDE MONONITRATE
ChEMBL Synonyms TRANGINA XL | MONODUR | MONIT XL 60 | MODISAL 60 XL | ISMO 20 | IS-5-MN | EUMON 60 XL | DYNAMIN XL 50 | ANGITATE | TENKOSORB | MONOMAX SR 60 | MONIT LS | MODISAL LA 25 | ISOTARD 60 XL | ISMO 40 | IS 5-MN | ELANTAN 20 | ELANTAN 10 | SLOMON XL 60 | MONOKET | MONIT | ISOTRATE | ISOTARD 50 XL | ISODUR | ELANTAN LA 25 | AHR-4698 | XISMOX XL 60 | VASOTRATE 60 SR | RELOSORB XL | PHASONIT LA 50 | MONOMIL XL | MONO-CEDOCARD 40 | MODISAL 40 XL | KETANODUR | ISOTARD 40 XL | ISOTARD 25 XL | DYNAMIN | CIBRAL XL 60 | CIBRAL 20 | ANGEZE SR 40 | ANGEZE 40 | ANGEZE 20 | ZEMON 40 XL | PERTIL RET | MONO-CEDOCARD 20 | ISODUR 50 XL | ISMO RET | ELANTAN LA 50 | CIBRAL 40 | CIBRAL 10 | BM-22-145 | ZIOTAN XL | TARDISC XL | MONOMAX XL | MONOMAX SR 40 | MONO-CEDOCARD 10 | MONIT SR | MONIGEN XL 60 | MODISAL LA 50 | MCR 50 | ISOSORBIDE MONONITRATE | ISMO 10 | ISMO | ISIB 50 XL | BM 22.145 | ASTRODUR MR | ISIB 40 | IMO LA | DYNAMIN XL 25 | CARMIL XL | MONOSORB XL 60 | ISODUR 25 XL | ISIB 60 XL | ISIB 20 | IMDUR | EUMON 40 XL | ELANTAN 40 | CHEMYDUR 60 XL | ANGEZE SR 60 | ANGEZE 10 | ZEMON 60 XL
Max Phase 4 (Approved)
Trade Names ELANTAN LA 25 | ISODUR | ISOTARD 50 XL | ISOTRATE | MONIT | MONOKET | SLOMON XL 60 | ANGEZE SR 40 | CIBRAL 20 | CIBRAL XL 60 | DYNAMIN | ISOTARD 25 XL | ISOTARD 40 XL | KETANODUR | MODISAL 40 XL | MONO-CEDOCARD 40 | MONOMIL XL | PHASONIT LA 50 | RELOSORB XL | VASOTRATE 60 SR | XISMOX XL 60 | CIBRAL 10 | CIBRAL 40 | ELANTAN LA 50 | ISMO RET | ISODUR 50 XL | MONO-CEDOCARD 20 | PERTIL RET | ZEMON 40 XL | ANGEZE 20 | ANGEZE 40 | ASTRODUR MR | ISIB 50 XL | ISMO | ISMO 10 | ISOSORBIDE MONONITRATE | MCR 50 | MODISAL LA 50 | MONIGEN XL 60 | MONIT SR | MONO-CEDOCARD 10 | MONOMAX SR 40 | MONOMAX XL | TARDISC XL | ZIOTAN XL | ANGEZE SR 60 | CHEMYDUR 60 XL | ELANTAN 40 | EUMON 40 XL | IMDUR | ISIB 20 | ISIB 60 XL | ISODUR 25 XL | MONOSORB XL 60 | CARMIL XL | DYNAMIN XL 25 | IMO LA | ISIB 40 | ANGEZE 10 | ANGITATE | DYNAMIN XL 50 | EUMON 60 XL | ISMO 20 | MODISAL 60 XL | MONIT XL 60 | MONODUR | TRANGINA XL | ZEMON 60 XL | ELANTAN 10 | ELANTAN 20 | ISMO 40 | ISOTARD 60 XL | MODISAL LA 25 | MONIT LS | MONOMAX SR 60 | TENKOSORB
Molecular Formula C6H9NO6

Additional synonyms for CHEMBL1311 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES O[C@H]1CO[C@@H]2[C@@H](CO[C@H]12)O[N+](=O)[O-]
Standard InChI InChI=1S/C6H9NO6/c8-3-1-11-6-4(13-7(9)10)2-12-5(3)6/h3-6,8H, ...
Download InChI
Standard InChI Key YWXYYJSYQOXTPL-SLPGGIOYSA-N

Sources

  • British National Formulary
  • Curated Drug Pharmacokinetic Data
  • Orange Book
  • PubChem BioAssays
  • Scientific Literature
  • USP Dictionary of USAN and International Drug Names
  • WHO Anatomical Therapeutic Chemical Classification

Alternate Forms of Compound in ChEMBL


CHEMBL1311

Molecule Features

CHEMBL1311 compound icon
Drug Type:Natural Product-derived Rule of Five:Y First In Class:N Chirality:Single Stereoisomer Prodrug:N Oral:Y Parenteral:N Topical:N Black Box:N Availability Type:Prescription-only

Mechanism of Action

Mechanism of Action ChEMBL Target References
Soluble guanylate cyclase activator Soluble guanylate cyclase FDA ISBN

Indications

MESH Heading MESH ID EFO ID EFO Term Max phase for indication References
Cardiovascular DiseasesD002318EFO:0000319cardiovascular disease4ATC
Fissure in AnoD0054011ClinicalTrials
StrokeD020521EFO:0000712stroke2ClinicalTrials
Heart FailureD006333EFO:0003144heart failure2ClinicalTrials
HypertensionD006973EFO:0000537hypertension2ClinicalTrials
Vascular DiseasesD014652EFO:0004264vascular disease1ClinicalTrials

Clinical Data

ClinicalTrials.gov ISOSORBIDE MONONITRATE
The Cochrane Collaboration ISOSORBIDE MONONITRATE

Compound Bioactivity Summary

Compound Assay Summary

Compound Target Summary

Target Predictions

The two tables below display ChEMBL single-protein targets which are predicted to interact with CHEMBL1311. A 1uM and 10 uM cut-off have been applied to ChEMBL bioactivity data used to generate the respective models and the yellow coloured rows correspond to genuine predictions, i.e. targets not included in the original training set for this compound.


1uM


ChEMBL_ID Target Name Organism Score
CHEMBL2366517 Protease Human immunodeficiency virus 1 0.986
CHEMBL1914 Butyrylcholinesterase Homo sapiens 0.984
CHEMBL3072 Androgen Receptor Rattus norvegicus 0.404
CHEMBL1075138 Tyrosyl-DNA phosphodiesterase 1 Homo sapiens 0.372
CHEMBL1293231 Nuclear receptor ROR-gamma Mus musculus 0.338
CHEMBL1293237 Bloom syndrome protein Homo sapiens 0.327
CHEMBL4372 Anthrax lethal factor Bacillus anthracis 0.263



10uM


ChEMBL_ID Target Name Organism Score
CHEMBL4045 AMP-activated protein kinase, alpha-1 subunit Homo sapiens 1.000
CHEMBL1914 Butyrylcholinesterase Homo sapiens 0.996
CHEMBL2366517 Protease Human immunodeficiency virus 1 0.925
CHEMBL2755 Glutathione reductase Homo sapiens 0.746
CHEMBL2443 Kallikrein 7 Homo sapiens 0.626

Calculated Compound Parent Properties

Mol. Weight Mol. Weight Monoisotopic ALogP #Rotatable Bonds Polar Surface Area Molecular Species
191.1 191.043 -1.28 2 91.06 NEUTRAL


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
6 1 0 7 1 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
13.09 - -.18 -.18 0 13 0.43

Structural Alerts

There are 5 structural alerts for CHEMBL1311. To view alerts please click here.

Compound Cross References

ATC C - CARDIOVASCULAR SYSTEM
C01 - CARDIAC THERAPY
C01D - VASODILATORS USED IN CARDIAC DISEASES
C01DA - Organic nitrates
C01DA14 - isosorbide mononitrate

ChemSpider ChemSpider:YWXYYJSYQOXTPL-SLPGGIOYSA-N
DailyMed isosorbide mononitrate
PubChem SID: 144205134
Wikipedia Isosorbide_mononitrate

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL1311



ACToR 16051-77-7
Brenda 151881
ChEBI 6062
ChemicalBook CB3256697
DrugBank DB01020
DrugCentral 1506
eMolecules 30488208 713614
EPA CompTox Dashboard DTXSID9023176
FDA SRS LX1OH63030
Guide to Pharmacology 7052
Human Metabolome Database HMDB0015155
IBM Patent System 3CAD9675FB62073937AD9C719D7CC72F
KEGG Ligand C07714
LINCS LSM-5883
MolPort MolPort-003-848-286
PharmGKB PA450126
PubChem 27661
PubChem: Thomson Pharma 14748507 15171521
SureChEMBL SCHEMBL26781
ZINC ZINC000001849548

UniChem REST Service Call:
https://www.ebi.ac.uk/unichem/rest/verbose_inchikey/YWXYYJSYQOXTPL-SLPGGIOYSA-N spacer
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