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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL356359
CHEMBL356359
Compound Name PIBOSEROD
ChEMBL Synonyms SB-207266-A | SB-207266 | PIBOSEROD | PIBOSEROD HYDROCHLORIDE
Max Phase 0
Trade Names
Molecular Formula C22H31N3O2

Additional synonyms for CHEMBL356359 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES CCCCN1CCC(CNC(=O)c2c3OCCCn3c4ccccc24)CC1
Standard InChI InChI=1S/C22H31N3O2/c1-2-3-11-24-13-9-17(10-14-24)16-23-21(2 ...
Download InChI
Standard InChI Key KVCSJPATKXABRQ-UHFFFAOYSA-N

Sources

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

Alternate Forms of Compound in ChEMBL


CHEMBL356359

Molecule Features

CHEMBL356359 compound icon
Drug Type:Synthetic Small Molecule Rule of Five:Y First In Class:N Chirality:Achiral Molecule Prodrug:N Oral:Unclassified Parenteral:Unclassified Topical:Unclassified Black Box:Unclassified Availability Type:Unclassified

Clinical Data

ClinicalTrials.gov PIBOSEROD
The Cochrane Collaboration PIBOSEROD

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 CHEMBL356359. 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
CHEMBL1875 Serotonin 4 (5-HT4) receptor Homo sapiens 1.000
CHEMBL5017 Serotonin 4 (5-HT4) receptor Cavia porcellus 1.000
CHEMBL4317 Serotonin 4 (5-HT4) receptor Rattus norvegicus 1.000
CHEMBL253 Cannabinoid CB2 receptor Homo sapiens 1.000
CHEMBL2470 Cannabinoid CB2 receptor Rattus norvegicus 0.999
CHEMBL339 Dopamine D2 receptor Rattus norvegicus 0.995
CHEMBL218 Cannabinoid CB1 receptor Homo sapiens 0.865
CHEMBL3943 Histamine H1 receptor Cavia porcellus 0.861
CHEMBL217 Dopamine D2 receptor Homo sapiens 0.767
CHEMBL273 Serotonin 1a (5-HT1a) receptor Rattus norvegicus 0.766
CHEMBL3571 Cannabinoid CB1 receptor Rattus norvegicus 0.713
CHEMBL216 Muscarinic acetylcholine receptor M1 Homo sapiens 0.671
CHEMBL287 Sigma opioid receptor Homo sapiens 0.523
CHEMBL234 Dopamine D3 receptor Homo sapiens 0.206



10uM


ChEMBL_ID Target Name Organism Score
CHEMBL5017 Serotonin 4 (5-HT4) receptor Cavia porcellus 1.000
CHEMBL1875 Serotonin 4 (5-HT4) receptor Homo sapiens 1.000
CHEMBL4317 Serotonin 4 (5-HT4) receptor Rattus norvegicus 1.000
CHEMBL253 Cannabinoid CB2 receptor Homo sapiens 1.000
CHEMBL2470 Cannabinoid CB2 receptor Rattus norvegicus 1.000
CHEMBL3571 Cannabinoid CB1 receptor Rattus norvegicus 0.995
CHEMBL339 Dopamine D2 receptor Rattus norvegicus 0.989
CHEMBL218 Cannabinoid CB1 receptor Homo sapiens 0.989
CHEMBL1942 Alpha-2b adrenergic receptor Homo sapiens 0.923
CHEMBL3943 Histamine H1 receptor Cavia porcellus 0.872
CHEMBL1941 Histamine H2 receptor Homo sapiens 0.769
CHEMBL1968 Epoxide hydrolase 1 Homo sapiens 0.767
CHEMBL2182 Serotonin 1e (5-HT1e) receptor Homo sapiens 0.733
CHEMBL273 Serotonin 1a (5-HT1a) receptor Rattus norvegicus 0.696
CHEMBL217 Dopamine D2 receptor Homo sapiens 0.630
CHEMBL1899 Serotonin 3a (5-HT3a) receptor Homo sapiens 0.600
CHEMBL234 Dopamine D3 receptor Homo sapiens 0.590
CHEMBL287 Sigma opioid receptor Homo sapiens 0.451
CHEMBL216 Muscarinic acetylcholine receptor M1 Homo sapiens 0.412
CHEMBL224 Serotonin 2a (5-HT2a) receptor Homo sapiens 0.259

Calculated Compound Parent Properties

Mol. Weight Mol. Weight Monoisotopic ALogP #Rotatable Bonds Polar Surface Area Molecular Species
369.5 369.2416 3.54 6 46.5 BASE


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
3 1 0 5 1 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
13.86 9.43 3.35 1.36 2 27 0.85

Structural Alerts

There are no structural alerts for CHEMBL356359

Compound Cross References

ChemSpider ChemSpider:KVCSJPATKXABRQ-UHFFFAOYSA-N
PubChem SID: 137275879
Wikipedia Piboserod

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL356359



ACToR 152811-62-6
BindingDB 85026
DrugBank DB04873
EPA CompTox Dashboard DTXSID60165129
FDA SRS 4UQ3S81B25
Guide to Pharmacology 225
IBM Patent System B3094367A5BDB9CE8BE8E600892F3D83
Nikkaji J711.350A
PubChem 177336
PubChem: Thomson Pharma 14901873
SureChEMBL SCHEMBL467339
ZINC ZINC000001537633

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