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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL1464005
CHEMBL1464005
Compound Name IPRATROPIUM BROMIDE
ChEMBL Synonyms Ipratropium Bromide
Max Phase 0
Trade Names
Molecular Formula C20H30BrNO3

Additional synonyms for CHEMBL1464005 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES [Br-].CC(C)[N+]1(C)[C@@H]2CC[C@H]1C[C@H](C2)OC(=O)C(CO)c3ccc ...
Download SMILES
Standard InChI InChI=1S/C20H30NO3.BrH/c1-14(2)21(3)16-9-10-17(21)12-18(11-1 ...
Download InChI
Standard InChI Key LHLMOSXCXGLMMN-WDTICOSOSA-M

Sources

  • PubChem BioAssays
  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL1464005

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 CHEMBL1464005. 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
CHEMBL320 Muscarinic acetylcholine receptor M3 Rattus norvegicus 1.000
CHEMBL245 Muscarinic acetylcholine receptor M3 Homo sapiens 1.000
CHEMBL309 Muscarinic acetylcholine receptor M2 Rattus norvegicus 1.000
CHEMBL276 Muscarinic acetylcholine receptor M1 Rattus norvegicus 1.000
CHEMBL2035 Muscarinic acetylcholine receptor M5 Homo sapiens 1.000
CHEMBL211 Muscarinic acetylcholine receptor M2 Homo sapiens 1.000
CHEMBL216 Muscarinic acetylcholine receptor M1 Homo sapiens 1.000
CHEMBL1821 Muscarinic acetylcholine receptor M4 Homo sapiens 1.000
CHEMBL1293237 Bloom syndrome protein Homo sapiens 0.999
CHEMBL2672 Muscarinic acetylcholine receptor M1 Bos taurus 0.450



10uM


ChEMBL_ID Target Name Organism Score
CHEMBL320 Muscarinic acetylcholine receptor M3 Rattus norvegicus 1.000
CHEMBL245 Muscarinic acetylcholine receptor M3 Homo sapiens 1.000
CHEMBL309 Muscarinic acetylcholine receptor M2 Rattus norvegicus 1.000
CHEMBL211 Muscarinic acetylcholine receptor M2 Homo sapiens 1.000
CHEMBL276 Muscarinic acetylcholine receptor M1 Rattus norvegicus 1.000
CHEMBL1821 Muscarinic acetylcholine receptor M4 Homo sapiens 1.000
CHEMBL216 Muscarinic acetylcholine receptor M1 Homo sapiens 1.000
CHEMBL2035 Muscarinic acetylcholine receptor M5 Homo sapiens 0.999
CHEMBL3251 Nuclear factor NF-kappa-B p105 subunit Homo sapiens 0.525
CHEMBL2672 Muscarinic acetylcholine receptor M1 Bos taurus 0.385
CHEMBL1293237 Bloom syndrome protein Homo sapiens 0.214

Calculated Compound Parent Properties

Mol. Weight Mol. Weight Monoisotopic ALogP #Rotatable Bonds Polar Surface Area Molecular Species
332.5 332.222 2.85 5 46.53 NEUTRAL


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
3 1 0 4 1 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
- - -3.71 -3.71 1 24 0.67

Structural Alerts

There are 2 structural alerts for CHEMBL1464005. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:LHLMOSXCXGLMMN-WDTICOSOSA-M
PubChem SID: 855799

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL1464005



ACToR 22254-24-6
BindingDB 50021892
ChemicalBook CB9715938
EPA CompTox Dashboard DTXSID60858923
MolPort MolPort-006-069-092
PubChem: Thomson Pharma 16502929
SureChEMBL SCHEMBL3852

UniChem REST Service Call:
https://www.ebi.ac.uk/unichem/rest/verbose_inchikey/LHLMOSXCXGLMMN-WDTICOSOSA-M spacer
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