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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL1711
CHEMBL1711
Compound Name ISOPROTERENOL HYDROCHLORIDE
ChEMBL Synonyms AEROLONE | VAPO-ISO | L-ISOPRENALINE HYDROCHLORIDE | ISOPROTERENOL HYDROCHLORIDE | Oriconazole | ISUPREL | Medihaler-Iso | NORISODRINE AEROTROL | ISOPROPYLARTERENOL HYDROCHLORIDE | NORISODRINE | Imuprel | Isoprenaline
Max Phase 4 (Approved)
Trade Names AEROLONE | ISOPROTERENOL HYDROCHLORIDE | ISUPREL | Imuprel | Isoprenaline | NORISODRINE | NORISODRINE AEROTROL | Oriconazole | VAPO-ISO
Molecular Formula C11H18ClNO3

Additional synonyms for CHEMBL1711 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES Cl.CC(C)NCC(O)c1ccc(O)c(O)c1
Standard InChI InChI=1S/C11H17NO3.ClH/c1-7(2)12-6-11(15)8-3-4-9(13)10(14)5- ...
Download InChI
Standard InChI Key IROWCYIEJAOFOW-UHFFFAOYSA-N

Sources

  • Orange Book
  • PubChem BioAssays
  • Scientific Literature
  • USP Dictionary of USAN and International Drug Names

Alternate Forms of Compound in ChEMBL


CHEMBL1711

Molecule Features

CHEMBL1711 compound icon
Drug Type:Synthetic Small Molecule Rule of Five:Y First In Class:N Chirality:Racemic Mixture Prodrug:N Oral:N Parenteral:Y Topical:Y Black Box:N Availability Type:Prescription-only

Mechanism of Action

Mechanism of Action ChEMBL Target References
Adrenergic receptor beta agonist Adrenergic receptor beta FDA

Clinical Data

ClinicalTrials.gov ISOPROTERENOL HYDROCHLORIDE
The Cochrane Collaboration ISOPROTERENOL HYDROCHLORIDE

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 CHEMBL1711. 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
CHEMBL210 Beta-2 adrenergic receptor Homo sapiens 1.000
CHEMBL5414 Beta-2 adrenergic receptor Cavia porcellus 1.000
CHEMBL3373 Beta-2 adrenergic receptor Bos taurus 1.000
CHEMBL246 Beta-3 adrenergic receptor Homo sapiens 1.000
CHEMBL213 Beta-1 adrenergic receptor Homo sapiens 1.000
CHEMBL3252 Beta-1 adrenergic receptor Rattus norvegicus 1.000
CHEMBL3251 Nuclear factor NF-kappa-B p105 subunit Homo sapiens 1.000
CHEMBL4159 Endoplasmic reticulum-associated amyloid beta-peptide-binding protein Homo sapiens 0.998
CHEMBL4261 Hypoxia-inducible factor 1 alpha Homo sapiens 0.998
CHEMBL4400 Beta-3 adrenergic receptor Canis lupus familiaris 0.995
CHEMBL1293237 Bloom syndrome protein Homo sapiens 0.992
CHEMBL1075138 Tyrosyl-DNA phosphodiesterase 1 Homo sapiens 0.991
CHEMBL312 Arachidonate 5-lipoxygenase Rattus norvegicus 0.834
CHEMBL2903 Arachidonate 15-lipoxygenase Homo sapiens 0.676
CHEMBL5619 DNA-(apurinic or apyrimidinic site) lyase Homo sapiens 0.289
CHEMBL270 Mu opioid receptor Rattus norvegicus 0.218



10uM


ChEMBL_ID Target Name Organism Score
CHEMBL3373 Beta-2 adrenergic receptor Bos taurus 1.000
CHEMBL5414 Beta-2 adrenergic receptor Cavia porcellus 1.000
CHEMBL210 Beta-2 adrenergic receptor Homo sapiens 1.000
CHEMBL246 Beta-3 adrenergic receptor Homo sapiens 1.000
CHEMBL3252 Beta-1 adrenergic receptor Rattus norvegicus 1.000
CHEMBL213 Beta-1 adrenergic receptor Homo sapiens 1.000
CHEMBL5471 Beta-1 adrenergic receptor Cavia porcellus 1.000
CHEMBL3251 Nuclear factor NF-kappa-B p105 subunit Homo sapiens 1.000
CHEMBL2289 Beta-2 adrenergic receptor Canis lupus familiaris 1.000
CHEMBL4400 Beta-3 adrenergic receptor Canis lupus familiaris 0.993
CHEMBL1293237 Bloom syndrome protein Homo sapiens 0.991
CHEMBL5619 DNA-(apurinic or apyrimidinic site) lyase Homo sapiens 0.962
CHEMBL312 Arachidonate 5-lipoxygenase Rattus norvegicus 0.822
CHEMBL1075138 Tyrosyl-DNA phosphodiesterase 1 Homo sapiens 0.342
CHEMBL3402 Alkaline phosphatase placental-like Homo sapiens 0.296
CHEMBL270 Mu opioid receptor Rattus norvegicus 0.279

Calculated Compound Parent Properties

Mol. Weight Mol. Weight Monoisotopic ALogP #Rotatable Bonds Polar Surface Area Molecular Species
211.3 211.1208 1.13 4 72.72 BASE


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
4 4 0 4 4 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
9.6 9.26 .32 -1.55 1 15 0.56

Structural Alerts

There are 2 structural alerts for CHEMBL1711. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:IROWCYIEJAOFOW-UHFFFAOYSA-N
DailyMed isoproterenol hydrochloride
PubChem SID: 144208470 SID: 144210628 SID: 17388957 SID: 26747558 SID: 26747559 SID: 26752241 SID: 50085961 SID: 50106483 SID: 50106527 SID: 50106528 SID: 56320927 SID: 56320928

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL1711



ACToR 1336-89-6 51-30-9
ChEBI 31453
ChemicalBook CB5276844
eMolecules 524308
EPA CompTox Dashboard DTXSID6025486
Mcule MCULE-1456958404
MolPort MolPort-000-739-591 MolPort-003-666-212
NIH Clinical Collection SAM002554906
PubChem 13701 5807 57513594
PubChem: Thomson Pharma 15122133
Selleck Isoprenaline-hydrochloride
SureChEMBL SCHEMBL7627

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