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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL1697729
CHEMBL1697729
Compound Name HYOSCYAMINE SULFATE
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C17H25NO7S

Additional synonyms for CHEMBL1697729 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES CN1[C@@H]2CC[C@H]1C[C@H](C2)OC(=O)[C@H](CO)c3ccccc3.OS(=O)(= ...
Download SMILES
Standard InChI InChI=1S/C17H23NO3.H2O4S/c1-18-13-7-8-14(18)10-15(9-13)21-17 ...
Download InChI
Standard InChI Key VJFQPODMEGSXHC-PGQIENJJSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL1697729

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 CHEMBL1697729. 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
CHEMBL276 Muscarinic acetylcholine receptor M1 Rattus norvegicus 1.000
CHEMBL309 Muscarinic acetylcholine receptor M2 Rattus norvegicus 1.000
CHEMBL245 Muscarinic acetylcholine receptor M3 Homo sapiens 1.000
CHEMBL216 Muscarinic acetylcholine receptor M1 Homo sapiens 1.000
CHEMBL2035 Muscarinic acetylcholine receptor M5 Homo sapiens 1.000
CHEMBL211 Muscarinic acetylcholine receptor M2 Homo sapiens 1.000
CHEMBL1821 Muscarinic acetylcholine receptor M4 Homo sapiens 1.000
CHEMBL338 Dopamine transporter Rattus norvegicus 1.000
CHEMBL1899 Serotonin 3a (5-HT3a) receptor Homo sapiens 0.986
CHEMBL1293237 Bloom syndrome protein Homo sapiens 0.897
CHEMBL304 Norepinephrine transporter Rattus norvegicus 0.343



10uM


ChEMBL_ID Target Name Organism Score
CHEMBL320 Muscarinic acetylcholine receptor M3 Rattus norvegicus 1.000
CHEMBL276 Muscarinic acetylcholine receptor M1 Rattus norvegicus 1.000
CHEMBL309 Muscarinic acetylcholine receptor M2 Rattus norvegicus 1.000
CHEMBL245 Muscarinic acetylcholine receptor M3 Homo sapiens 1.000
CHEMBL211 Muscarinic acetylcholine receptor M2 Homo sapiens 1.000
CHEMBL216 Muscarinic acetylcholine receptor M1 Homo sapiens 1.000
CHEMBL338 Dopamine transporter Rattus norvegicus 1.000
CHEMBL1821 Muscarinic acetylcholine receptor M4 Homo sapiens 1.000
CHEMBL1899 Serotonin 3a (5-HT3a) receptor Homo sapiens 0.998
CHEMBL2035 Muscarinic acetylcholine receptor M5 Homo sapiens 0.995
CHEMBL304 Norepinephrine transporter Rattus norvegicus 0.842
CHEMBL313 Serotonin transporter Rattus norvegicus 0.563
CHEMBL4040 MAP kinase ERK2 Homo sapiens 0.297
CHEMBL237 Kappa opioid receptor Homo sapiens 0.222

Calculated Compound Parent Properties

Mol. Weight Mol. Weight Monoisotopic ALogP #Rotatable Bonds Polar Surface Area Molecular Species
289.4 289.1678 1.93 4 49.77 BASE


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


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
- 9.98 1.38 -1.09 1 21 0.86

Structural Alerts

There are 1 structural alerts for CHEMBL1697729. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:VJFQPODMEGSXHC-PGQIENJJSA-N
Wikipedia Hyoscyamine

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL1697729



SureChEMBL SCHEMBL34273

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