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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL1200828
CHEMBL1200828
Compound Name CYCRIMINE HYDROCHLORIDE
ChEMBL Synonyms PAGITANE | CYCRIMINE HYDROCHLORIDE
Max Phase 4 (Approved)
Trade Names PAGITANE
Molecular Formula C19H30ClNO

Additional synonyms for CHEMBL1200828 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES Cl.OC(CCN1CCCCC1)(C2CCCC2)c3ccccc3
Standard InChI InChI=1S/C19H29NO.ClH/c21-19(18-11-5-6-12-18,17-9-3-1-4-10-1 ...
Download InChI
Standard InChI Key WBCWFMFZMRFRLT-UHFFFAOYSA-N

Sources

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

Alternate Forms of Compound in ChEMBL


CHEMBL1200828

Molecule Features

CHEMBL1200828 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:Discontinued

Mechanism of Action

Mechanism of Action ChEMBL Target References
Muscarinic acetylcholine receptor M1 antagonist Muscarinic acetylcholine receptor M1 ISBN PubMed PubMed

Clinical Data

ClinicalTrials.gov CYCRIMINE HYDROCHLORIDE
The Cochrane Collaboration CYCRIMINE HYDROCHLORIDE

Target Predictions

The two tables below display ChEMBL single-protein targets which are predicted to interact with CHEMBL1200828. 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
CHEMBL216 Muscarinic acetylcholine receptor M1 Homo sapiens 1.000
CHEMBL211 Muscarinic acetylcholine receptor M2 Homo sapiens 1.000
CHEMBL320 Muscarinic acetylcholine receptor M3 Rattus norvegicus 0.998
CHEMBL287 Sigma opioid receptor Homo sapiens 0.996
CHEMBL309 Muscarinic acetylcholine receptor M2 Rattus norvegicus 0.976
CHEMBL1821 Muscarinic acetylcholine receptor M4 Homo sapiens 0.959
CHEMBL253 Cannabinoid CB2 receptor Homo sapiens 0.660
CHEMBL2014 Nociceptin receptor Homo sapiens 0.564
CHEMBL233 Mu opioid receptor Homo sapiens 0.550
CHEMBL2035 Muscarinic acetylcholine receptor M5 Homo sapiens 0.343
CHEMBL274 C-C chemokine receptor type 5 Homo sapiens 0.316
CHEMBL240 HERG Homo sapiens 0.302
CHEMBL264 Histamine H3 receptor Homo sapiens 0.247



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
CHEMBL216 Muscarinic acetylcholine receptor M1 Homo sapiens 1.000
CHEMBL320 Muscarinic acetylcholine receptor M3 Rattus norvegicus 0.999
CHEMBL287 Sigma opioid receptor Homo sapiens 0.995
CHEMBL309 Muscarinic acetylcholine receptor M2 Rattus norvegicus 0.993
CHEMBL233 Mu opioid receptor Homo sapiens 0.800
CHEMBL1821 Muscarinic acetylcholine receptor M4 Homo sapiens 0.670
CHEMBL4641 Voltage-gated T-type calcium channel alpha-1G subunit Homo sapiens 0.657
CHEMBL2014 Nociceptin receptor Homo sapiens 0.569
CHEMBL264 Histamine H3 receptor Homo sapiens 0.471
CHEMBL1615381 Menin Homo sapiens 0.445
CHEMBL253 Cannabinoid CB2 receptor Homo sapiens 0.342
CHEMBL240 HERG Homo sapiens 0.277
CHEMBL237 Kappa opioid receptor Homo sapiens 0.269
CHEMBL274 C-C chemokine receptor type 5 Homo sapiens 0.249

Calculated Compound Parent Properties

Mol. Weight Mol. Weight Monoisotopic ALogP #Rotatable Bonds Polar Surface Area Molecular Species
287.5 287.2249 3.94 5 23.47 BASE


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
2 1 0 2 1 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
- 9.33 3.86 1.95 1 21 0.89

Structural Alerts

There are no structural alerts for CHEMBL1200828

Compound Cross References

ChemSpider ChemSpider:WBCWFMFZMRFRLT-UHFFFAOYSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL1200828



ChEBI 59693
PubChem 101597
SureChEMBL SCHEMBL1235292

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