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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL1200851
CHEMBL1200851
Compound Name HOMATROPINE METHYLBROMIDE
ChEMBL Synonyms HOMAPIN-5 | EQUIPIN | HOMATROPINE METHYLBROMIDE | HOMAPIN | HOMAPIN-10
Max Phase 4 (Approved)
Trade Names EQUIPIN | HOMAPIN | HOMAPIN-10 | HOMAPIN-5
Molecular Formula C17H24BrNO3

Additional synonyms for CHEMBL1200851 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES [Br-].C[N+]1(C)[C@@H]2CC[C@H]1C[C@H](C2)OC(=O)C(O)c3ccccc3
Standard InChI InChI=1S/C17H24NO3.BrH/c1-18(2)13-8-9-14(18)11-15(10-13)21-1 ...
Download InChI
Standard InChI Key FUFVKLQESJNNAN-RIMUKSHESA-M

Sources

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

Alternate Forms of Compound in ChEMBL


CHEMBL1200851

Molecule Features

CHEMBL1200851 compound icon
Drug Type:Synthetic Small Molecule Rule of Five:Y First In Class:N Chirality:Racemic Mixture Prodrug:N Oral:Y Parenteral:N Topical:N Black Box:N Availability Type:Prescription-only

Mechanism of Action

Mechanism of Action ChEMBL Target References
Unknown Not Available FDA PubMed

Clinical Data

ClinicalTrials.gov HOMATROPINE METHYLBROMIDE
The Cochrane Collaboration HOMATROPINE METHYLBROMIDE

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 CHEMBL1200851. 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
CHEMBL245 Muscarinic acetylcholine receptor M3 Homo sapiens 1.000
CHEMBL320 Muscarinic acetylcholine receptor M3 Rattus norvegicus 1.000
CHEMBL211 Muscarinic acetylcholine receptor M2 Homo sapiens 1.000
CHEMBL276 Muscarinic acetylcholine receptor M1 Rattus norvegicus 1.000
CHEMBL216 Muscarinic acetylcholine receptor M1 Homo sapiens 1.000
CHEMBL309 Muscarinic acetylcholine receptor M2 Rattus norvegicus 0.998
CHEMBL1293237 Bloom syndrome protein Homo sapiens 0.992
CHEMBL1821 Muscarinic acetylcholine receptor M4 Homo sapiens 0.922
CHEMBL2035 Muscarinic acetylcholine receptor M5 Homo sapiens 0.858



10uM


ChEMBL_ID Target Name Organism Score
CHEMBL245 Muscarinic acetylcholine receptor M3 Homo sapiens 1.000
CHEMBL211 Muscarinic acetylcholine receptor M2 Homo sapiens 1.000
CHEMBL320 Muscarinic acetylcholine receptor M3 Rattus norvegicus 1.000
CHEMBL276 Muscarinic acetylcholine receptor M1 Rattus norvegicus 0.999
CHEMBL216 Muscarinic acetylcholine receptor M1 Homo sapiens 0.999
CHEMBL1821 Muscarinic acetylcholine receptor M4 Homo sapiens 0.909
CHEMBL309 Muscarinic acetylcholine receptor M2 Rattus norvegicus 0.860
CHEMBL1293237 Bloom syndrome protein Homo sapiens 0.392

Calculated Compound Parent Properties

Mol. Weight Mol. Weight Monoisotopic ALogP #Rotatable Bonds Polar Surface Area Molecular Species
290.4 290.1751 2.03 3 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
12.04 - -3.45 -3.45 1 21 0.68

Structural Alerts

There are 2 structural alerts for CHEMBL1200851. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:FUFVKLQESJNNAN-RIMUKSHESA-M
DailyMed homatropine methylbromide
Wikipedia Methylhomatropine

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL1200851



ChemicalBook CB9114740
eMolecules 28206296 36905305
EPA CompTox Dashboard DTXSID4023127
MolPort MolPort-023-219-684
PubChem: Thomson Pharma 24380806
Selleck homatropine-methylbromide

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